N-[(3R)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-morpholin-4-ylacetamide

C22H23FN4O2 — CID 26182974

IUPACN-[(3R)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-morpholin-4-ylacetamide
SMILESCC1=Nc2ccccc2N=C(NC(=O)CN2CCOCC2)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C22H23FN4O2/c1-15-21(16-6-8-17(23)9-7-16)22(25-19-5-3-2-4-18(19)24-15)26-20(28)14-27-10-12-29-13-11-27/h2-9,21H,10-14H2,1H3,(H,25,26,28)/t21-/m0/s1
InChIKeyCOWVWGMBYPVDEV-NRFANRHFSA-N
MW394.45 g/mol
LogP3.19
Rot. Bonds3

About N-[(3R)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-morpholin-4-ylacetamide

N-[(3R)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-morpholin-4-ylacetamide (PubChem CID 26182974) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[(3R)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(3R)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-morpholin-4-ylacetamide
PubChem CID26182974
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC NameN-[(3R)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-morpholin-4-ylacetamide
SMILESCC1=Nc2ccccc2N=C(NC(=O)CN2CCOCC2)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C22H23FN4O2/c1-15-21(16-6-8-17(23)9-7-16)22(25-19-5-3-2-4-18(19)24-15)26-20(28)14-27-10-12-29-13-11-27/h2-9,21H,10-14H2,1H3,(H,25,26,28)/t21-/m0/s1
InChIKeyCOWVWGMBYPVDEV-NRFANRHFSA-N
XLogP3.19
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 92770086
N-[(3R)-3-(3,4-dimethoxyphenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-piperidin-1-ylacetamide
CID 26183036
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
1-[5-(4-fluorophenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
CID 46154154
2-(2-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 51327232
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
N-(4-fluorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide
CID 1091485
5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrazole-4-carboxamide
CID 24620569
N-(2-methylphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 175654128
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-morpholin-4-ylacetamide
CID 2534176
N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
CID 17460356

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(3R)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-morpholin-4-ylacetamide (CID 26182974) is N-[(3R)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(3R)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(3R)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-morpholin-4-ylacetamide is CC1=Nc2ccccc2N=C(NC(=O)CN2CCOCC2)[C@@H]1c1ccc(F)cc1.
What is the InChIKey of N-[(3R)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-morpholin-4-ylacetamide?
The InChIKey is COWVWGMBYPVDEV-NRFANRHFSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-15-21(16-6-8-17(23)9-7-16)22(25-19-5-3-2-4-18(19)24-15)26-20(28)14-27-10-12-29-13-11-27/h2-9,21H,10-14H2,1H3,(H,25,26,28)/t21-/m0/s1.
What are the key properties of N-[(3R)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-morpholin-4-ylacetamide?
N-[(3R)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-morpholin-4-ylacetamide has a molecular weight of 394.45 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 26182974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).