2-chloro-N-[3-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-3-oxo-1-phenylpropyl]benzamide

C27H26ClN3O3 — CID 24566967

IUPAC2-chloro-N-[3-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(CC(NC(=O)c1ccccc1Cl)c1ccccc1)NCc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C27H26ClN3O3/c28-23-12-5-4-11-22(23)27(34)31-24(19-8-2-1-3-9-19)16-25(32)29-17-18-7-6-10-21(15-18)30-26(33)20-13-14-20/h1-12,15,20,24H,13-14,16-17H2,(H,29,32)(H,30,33)(H,31,34)
InChIKeyTZDYVSMGXXULSE-UHFFFAOYSA-N
MW475.98 g/mol
LogP4.87
Rot. Bonds9

About 2-chloro-N-[3-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-3-oxo-1-phenylpropyl]benzamide

2-chloro-N-[3-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 24566967) has the molecular formula C27H26ClN3O3 and a molecular weight of 475.98 g/mol. Its IUPAC name is 2-chloro-N-[3-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID24566967
Molecular FormulaC27H26ClN3O3
Molecular Weight475.98 g/mol
Exact Mass475.17
IUPAC Name2-chloro-N-[3-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(CC(NC(=O)c1ccccc1Cl)c1ccccc1)NCc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C27H26ClN3O3/c28-23-12-5-4-11-22(23)27(34)31-24(19-8-2-1-3-9-19)16-25(32)29-17-18-7-6-10-21(15-18)30-26(33)20-13-14-20/h1-12,15,20,24H,13-14,16-17H2,(H,29,32)(H,30,33)(H,31,34)
InChIKeyTZDYVSMGXXULSE-UHFFFAOYSA-N
XLogP4.87
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.98
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 29303854
2-chloro-N-[(2S)-1-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 24571435
N-[3-[3-(cyclopropanecarbonylamino)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 55573209
N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 4303298
N-[3-[[(3-amino-3-phenylpropanoyl)amino]methyl]phenyl]cyclohexanecarboxamide
CID 119950296
N-[3-[[[3-acetamido-3-(4-bromophenyl)propanoyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 112818586
N-[3-[[[2-(2-chloroanilino)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 29450444
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-fluorobenzamide
CID 17498569
N-[3-[[(2-amino-2-phenylacetyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 119299327
2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(thiophen-2-ylmethylamino)propyl]benzamide
CID 2491995
2-chloro-N-[(1S)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
CID 7688761
N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 60703389

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-3-oxo-1-phenylpropyl]benzamide (CID 24566967) is 2-chloro-N-[3-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-3-oxo-1-phenylpropyl]benzamide is O=C(CC(NC(=O)c1ccccc1Cl)c1ccccc1)NCc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of 2-chloro-N-[3-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is TZDYVSMGXXULSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O3/c28-23-12-5-4-11-22(23)27(34)31-24(19-8-2-1-3-9-19)16-25(32)29-17-18-7-6-10-21(15-18)30-26(33)20-13-14-20/h1-12,15,20,24H,13-14,16-17H2,(H,29,32)(H,30,33)(H,31,34).
What are the key properties of 2-chloro-N-[3-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-3-oxo-1-phenylpropyl]benzamide?
2-chloro-N-[3-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 475.98 g/mol, XLogP of 4.87, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 24566967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).