2-chloro-N-[(2S)-1-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-1-oxopropan-2-yl]benzamide

C21H22ClN3O3 — CID 24571435

IUPAC2-chloro-N-[(2S)-1-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-1-oxopropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C21H22ClN3O3/c1-13(24-21(28)17-7-2-3-8-18(17)22)19(26)23-12-14-5-4-6-16(11-14)25-20(27)15-9-10-15/h2-8,11,13,15H,9-10,12H2,1H3,(H,23,26)(H,24,28)(H,25,27)/t13-/m0/s1
InChIKeyIRTBYOCPDYKUQN-ZDUSSCGKSA-N
MW399.88 g/mol
LogP3.12
Rot. Bonds7

About 2-chloro-N-[(2S)-1-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-1-oxopropan-2-yl]benzamide

2-chloro-N-[(2S)-1-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-1-oxopropan-2-yl]benzamide (PubChem CID 24571435) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-1-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-1-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-1-oxopropan-2-yl]benzamide
PubChem CID24571435
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name2-chloro-N-[(2S)-1-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-1-oxopropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C21H22ClN3O3/c1-13(24-21(28)17-7-2-3-8-18(17)22)19(26)23-12-14-5-4-6-16(11-14)25-20(27)15-9-10-15/h2-8,11,13,15H,9-10,12H2,1H3,(H,23,26)(H,24,28)(H,25,27)/t13-/m0/s1
InChIKeyIRTBYOCPDYKUQN-ZDUSSCGKSA-N
XLogP3.12
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[(2S)-1-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-1-oxopropan-2-yl]benzamide with MolForge

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Related Compounds

N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
2-chloro-N-[3-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-3-oxo-1-phenylpropyl]benzamide
CID 24566967
N-[3-[[[(2R)-2-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30291694
N-[3-[(2-methoxypropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 47303341
N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 119282339
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-fluorobenzamide
CID 17498569
N-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-2-chlorobenzamide
CID 18161939
2-chloro-N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18161250
2-chloro-N-[1-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55797348
2-chloro-N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 2712751
2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide
CID 119944325
N-[3-[[[2-(2-chloroanilino)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 29450444

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-1-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2S)-1-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-1-oxopropan-2-yl]benzamide (CID 24571435) is 2-chloro-N-[(2S)-1-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2S)-1-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2S)-1-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-1-oxopropan-2-yl]benzamide is C[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of 2-chloro-N-[(2S)-1-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-1-oxopropan-2-yl]benzamide?
The InChIKey is IRTBYOCPDYKUQN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-13(24-21(28)17-7-2-3-8-18(17)22)19(26)23-12-14-5-4-6-16(11-14)25-20(27)15-9-10-15/h2-8,11,13,15H,9-10,12H2,1H3,(H,23,26)(H,24,28)(H,25,27)/t13-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-1-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-1-oxopropan-2-yl]benzamide?
2-chloro-N-[(2S)-1-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-1-oxopropan-2-yl]benzamide has a molecular weight of 399.88 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-1-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 24571435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).