N-benzyl-3-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]propanamide

C19H21F2N3O3 — CID 51129432

IUPACN-benzyl-3-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]propanamide
SMILESO=C(CCNC(=O)NCc1ccccc1OC(F)F)NCc1ccccc1
InChIInChI=1S/C19H21F2N3O3/c20-18(21)27-16-9-5-4-8-15(16)13-24-19(26)22-11-10-17(25)23-12-14-6-2-1-3-7-14/h1-9,18H,10-13H2,(H,23,25)(H2,22,24,26)
InChIKeyDLWCREOFXVMUFS-UHFFFAOYSA-N
MW377.39 g/mol
LogP2.79
Rot. Bonds9

About N-benzyl-3-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]propanamide

N-benzyl-3-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]propanamide (PubChem CID 51129432) has the molecular formula C19H21F2N3O3 and a molecular weight of 377.39 g/mol. Its IUPAC name is N-benzyl-3-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]propanamide
PubChem CID51129432
Molecular FormulaC19H21F2N3O3
Molecular Weight377.39 g/mol
Exact Mass377.16
IUPAC NameN-benzyl-3-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]propanamide
SMILESO=C(CCNC(=O)NCc1ccccc1OC(F)F)NCc1ccccc1
InChIInChI=1S/C19H21F2N3O3/c20-18(21)27-16-9-5-4-8-15(16)13-24-19(26)22-11-10-17(25)23-12-14-6-2-1-3-7-14/h1-9,18H,10-13H2,(H,23,25)(H2,22,24,26)
InChIKeyDLWCREOFXVMUFS-UHFFFAOYSA-N
XLogP2.79
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[2-(difluoromethoxy)phenyl]ethylcarbamoylamino]propanoic acid
CID 122011386
N-[3-[[2-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 18143916
6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide
CID 61252840
2-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxoethoxy]acetic acid
CID 60711310
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[(3-nitrophenyl)methyl]urea
CID 86855239
3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide
CID 86915882
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 17455488
2-benzhydryloxy-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
CID 30253696
5-[[2-(difluoromethoxy)phenyl]methylamino]-3-methyl-5-oxopentanoic acid
CID 62965388
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
CID 55912713
N-[3-[[4-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]benzamide
CID 24644344
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430390

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]propanamide?
The IUPAC name of N-benzyl-3-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]propanamide (CID 51129432) is N-benzyl-3-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]propanamide.
What is the SMILES notation for N-benzyl-3-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]propanamide?
The canonical SMILES for N-benzyl-3-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]propanamide is O=C(CCNC(=O)NCc1ccccc1OC(F)F)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]propanamide?
The InChIKey is DLWCREOFXVMUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3/c20-18(21)27-16-9-5-4-8-15(16)13-24-19(26)22-11-10-17(25)23-12-14-6-2-1-3-7-14/h1-9,18H,10-13H2,(H,23,25)(H2,22,24,26).
What are the key properties of N-benzyl-3-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]propanamide?
N-benzyl-3-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]propanamide has a molecular weight of 377.39 g/mol, XLogP of 2.79, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]propanamide is sourced from PubChem (CID 51129432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).