(4S)-5-[2-[2-(difluoromethoxy)anilino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

C19H19F2N3O3 — CID 30568647

IUPAC(4S)-5-[2-[2-(difluoromethoxy)anilino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESC[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1OC(F)F
InChIInChI=1S/C19H19F2N3O3/c1-12-10-17(25)23-13-6-2-4-8-15(13)24(12)18(26)11-22-14-7-3-5-9-16(14)27-19(20)21/h2-9,12,19,22H,10-11H2,1H3,(H,23,25)/t12-/m0/s1
InChIKeyRIPNCHKZMFVNAN-LBPRGKRZSA-N
MW375.38 g/mol
LogP3.46
Rot. Bonds5

About (4S)-5-[2-[2-(difluoromethoxy)anilino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

(4S)-5-[2-[2-(difluoromethoxy)anilino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (PubChem CID 30568647) has the molecular formula C19H19F2N3O3 and a molecular weight of 375.38 g/mol. Its IUPAC name is (4S)-5-[2-[2-(difluoromethoxy)anilino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name(4S)-5-[2-[2-(difluoromethoxy)anilino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
PubChem CID30568647
Molecular FormulaC19H19F2N3O3
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name(4S)-5-[2-[2-(difluoromethoxy)anilino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESC[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1OC(F)F
InChIInChI=1S/C19H19F2N3O3/c1-12-10-17(25)23-13-6-2-4-8-15(13)24(12)18(26)11-22-14-7-3-5-9-16(14)27-19(20)21/h2-9,12,19,22H,10-11H2,1H3,(H,23,25)/t12-/m0/s1
InChIKeyRIPNCHKZMFVNAN-LBPRGKRZSA-N
XLogP3.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S)-5-[2-[2-(difluoromethoxy)anilino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-methyl-5-[2-(methylamino)acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 9391866
ethyl N-[2-methyl-3-[[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]phenyl]carbamate
CID 52728361
(4R)-5-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)anilino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 34083994
5-[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 42921552
5-[2-(4-fluorophenyl)sulfanylacetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 46805072
(4S)-5-[2-[4-bromo-3-(trifluoromethyl)anilino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 41390590
N-[4-[[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 60524193
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[methyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]propanamide
CID 42927855
(4S)-5-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 8636552
(4R)-5-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 8636547
5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 55382185
2-[2-(difluoromethoxy)anilino]-1-pyrrolidin-1-ylethanone
CID 43217747

Frequently Asked Questions

What is the IUPAC name of (4S)-5-[2-[2-(difluoromethoxy)anilino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The IUPAC name of (4S)-5-[2-[2-(difluoromethoxy)anilino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (CID 30568647) is (4S)-5-[2-[2-(difluoromethoxy)anilino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.
What is the SMILES notation for (4S)-5-[2-[2-(difluoromethoxy)anilino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The canonical SMILES for (4S)-5-[2-[2-(difluoromethoxy)anilino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one is C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1OC(F)F.
What is the InChIKey of (4S)-5-[2-[2-(difluoromethoxy)anilino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The InChIKey is RIPNCHKZMFVNAN-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19F2N3O3/c1-12-10-17(25)23-13-6-2-4-8-15(13)24(12)18(26)11-22-14-7-3-5-9-16(14)27-19(20)21/h2-9,12,19,22H,10-11H2,1H3,(H,23,25)/t12-/m0/s1.
What are the key properties of (4S)-5-[2-[2-(difluoromethoxy)anilino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
(4S)-5-[2-[2-(difluoromethoxy)anilino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one has a molecular weight of 375.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-[2-[2-(difluoromethoxy)anilino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one is sourced from PubChem (CID 30568647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).