N-[3-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide

C19H20F2N2O2 — CID 41037701

IUPACN-[3-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)N[C@@H](C)c1ccc(F)cc1F
InChIInChI=1S/C19H20F2N2O2/c1-12-5-3-4-6-15(12)19(25)22-10-9-18(24)23-13(2)16-8-7-14(20)11-17(16)21/h3-8,11,13H,9-10H2,1-2H3,(H,22,25)(H,23,24)/t13-/m0/s1
InChIKeyHKVQGQWCOOVBFS-ZDUSSCGKSA-N
MW346.38 g/mol
LogP3.27
Rot. Bonds6

About N-[3-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide

N-[3-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide (PubChem CID 41037701) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is N-[3-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide
PubChem CID41037701
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC NameN-[3-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)N[C@@H](C)c1ccc(F)cc1F
InChIInChI=1S/C19H20F2N2O2/c1-12-5-3-4-6-15(12)19(25)22-10-9-18(24)23-13(2)16-8-7-14(20)11-17(16)21/h3-8,11,13H,9-10H2,1-2H3,(H,22,25)(H,23,24)/t13-/m0/s1
InChIKeyHKVQGQWCOOVBFS-ZDUSSCGKSA-N
XLogP3.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide 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

4-tert-butyl-N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]benzamide
CID 84958314
N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide
CID 170858789
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
2,4-difluoro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 24594478
tert-butyl N-[3-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]carbamate
CID 9225218
2,4-difluoro-N-[3-[1-(4-methylphenyl)ethylamino]-3-oxopropyl]benzamide
CID 46586720
N-[1-(2,4-difluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 112763839
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426
2-methyl-N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]benzamide
CID 51231530
N-[3-[[(4-bromo-2-fluorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 60523190
2-methyl-N-[3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxopropyl]benzamide
CID 9092093

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of N-[3-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide (CID 41037701) is N-[3-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCC(=O)N[C@@H](C)c1ccc(F)cc1F.
What is the InChIKey of N-[3-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide?
The InChIKey is HKVQGQWCOOVBFS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-12-5-3-4-6-15(12)19(25)22-10-9-18(24)23-13(2)16-8-7-14(20)11-17(16)21/h3-8,11,13H,9-10H2,1-2H3,(H,22,25)(H,23,24)/t13-/m0/s1.
What are the key properties of N-[3-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide?
N-[3-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide has a molecular weight of 346.38 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 41037701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).