N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-nitrobenzamide

C20H21N3O4 — CID 47063709

IUPACN-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-nitrobenzamide
SMILESO=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H21N3O4/c24-19(16-8-10-18(11-9-16)23(26)27)21-13-14-4-3-7-17(12-14)22-20(25)15-5-1-2-6-15/h3-4,7-12,15H,1-2,5-6,13H2,(H,21,24)(H,22,25)
InChIKeySANKVPVHTUTMMN-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.65
Rot. Bonds6

About N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-nitrobenzamide

N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-nitrobenzamide (PubChem CID 47063709) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-nitrobenzamide
PubChem CID47063709
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-nitrobenzamide
SMILESO=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H21N3O4/c24-19(16-8-10-18(11-9-16)23(26)27)21-13-14-4-3-7-17(12-14)22-20(25)15-5-1-2-6-15/h3-4,7-12,15H,1-2,5-6,13H2,(H,21,24)(H,22,25)
InChIKeySANKVPVHTUTMMN-UHFFFAOYSA-N
XLogP3.65
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methyl-4-nitrobenzamide
CID 60535612
4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 119741595
4-acetamido-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 60535462
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-5-nitrothiophene-3-carboxamide
CID 51117624
N-[3-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]phenyl]cyclopentanecarboxamide
CID 60535387
N-[3-[[[2-(4-nitrophenoxy)acetyl]amino]methyl]phenyl]cyclopentanecarboxamide
CID 52703092
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55893148
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 60535609
N-benzyl-3-[(4-nitrobenzoyl)amino]benzamide
CID 28638777
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide
CID 55894164
N-[3-[[[3-(cyclohexanecarbonylamino)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 55862384

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-nitrobenzamide?
The IUPAC name of N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-nitrobenzamide (CID 47063709) is N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-nitrobenzamide.
What is the SMILES notation for N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-nitrobenzamide?
The canonical SMILES for N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-nitrobenzamide is O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-nitrobenzamide?
The InChIKey is SANKVPVHTUTMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c24-19(16-8-10-18(11-9-16)23(26)27)21-13-14-4-3-7-17(12-14)22-20(25)15-5-1-2-6-15/h3-4,7-12,15H,1-2,5-6,13H2,(H,21,24)(H,22,25).
What are the key properties of N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-nitrobenzamide?
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-nitrobenzamide has a molecular weight of 367.41 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-nitrobenzamide is sourced from PubChem (CID 47063709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).