4-(cyclopropanecarbonylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide

C22H25N3O2 — CID 55983758

IUPAC4-(cyclopropanecarbonylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1N1CCCC1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C22H25N3O2/c26-21(16-9-11-19(12-10-16)24-22(27)17-7-8-17)23-15-18-5-1-2-6-20(18)25-13-3-4-14-25/h1-2,5-6,9-12,17H,3-4,7-8,13-15H2,(H,23,26)(H,24,27)
InChIKeyNIAIQQSSHJIYGW-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.57
Rot. Bonds6

About 4-(cyclopropanecarbonylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide

4-(cyclopropanecarbonylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide (PubChem CID 55983758) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
PubChem CID55983758
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-(cyclopropanecarbonylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1N1CCCC1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C22H25N3O2/c26-21(16-9-11-19(12-10-16)24-22(27)17-7-8-17)23-15-18-5-1-2-6-20(18)25-13-3-4-14-25/h1-2,5-6,9-12,17H,3-4,7-8,13-15H2,(H,23,26)(H,24,27)
InChIKeyNIAIQQSSHJIYGW-UHFFFAOYSA-N
XLogP3.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 47788856
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CID 56548796
4-[(4-methoxyphenyl)sulfamoyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55985873
4-(cyclopropanecarbonylamino)-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 55359299
4-cyclopentyloxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56518367
4-(cyclopropanecarbonylamino)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
CID 31217132
2-[[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974926
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-(1,3-dithian-2-yl)benzamide
CID 24680771
4-methyl-3-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 46977362
4-[(3-aminocyclohexanecarbonyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
CID 119718400
4-(cyclopropanecarbonylamino)-N-[(3-methylphenyl)methyl]benzamide
CID 33279074
N-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153972

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide (CID 55983758) is 4-(cyclopropanecarbonylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide is O=C(NCc1ccccc1N1CCCC1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
The InChIKey is NIAIQQSSHJIYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-21(16-9-11-19(12-10-16)24-22(27)17-7-8-17)23-15-18-5-1-2-6-20(18)25-13-3-4-14-25/h1-2,5-6,9-12,17H,3-4,7-8,13-15H2,(H,23,26)(H,24,27).
What are the key properties of 4-(cyclopropanecarbonylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
4-(cyclopropanecarbonylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 55983758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).