4-chloro-N-[4-oxo-4-[(1-phenylcyclopropyl)methylamino]butyl]benzamide

C21H23ClN2O2 — CID 42145645

IUPAC4-chloro-N-[4-oxo-4-[(1-phenylcyclopropyl)methylamino]butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)NCC1(c2ccccc2)CC1
InChIInChI=1S/C21H23ClN2O2/c22-18-10-8-16(9-11-18)20(26)23-14-4-7-19(25)24-15-21(12-13-21)17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-15H2,(H,23,26)(H,24,25)
InChIKeyMDPZBFMVVQEVSF-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.70
Rot. Bonds8

About 4-chloro-N-[4-oxo-4-[(1-phenylcyclopropyl)methylamino]butyl]benzamide

4-chloro-N-[4-oxo-4-[(1-phenylcyclopropyl)methylamino]butyl]benzamide (PubChem CID 42145645) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 4-chloro-N-[4-oxo-4-[(1-phenylcyclopropyl)methylamino]butyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-oxo-4-[(1-phenylcyclopropyl)methylamino]butyl]benzamide
PubChem CID42145645
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name4-chloro-N-[4-oxo-4-[(1-phenylcyclopropyl)methylamino]butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)NCC1(c2ccccc2)CC1
InChIInChI=1S/C21H23ClN2O2/c22-18-10-8-16(9-11-18)20(26)23-14-4-7-19(25)24-15-21(12-13-21)17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-15H2,(H,23,26)(H,24,25)
InChIKeyMDPZBFMVVQEVSF-UHFFFAOYSA-N
XLogP3.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-oxo-4-[(1-phenylcyclobutyl)methylamino]butyl]benzamide
CID 51316447
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
4-chloro-N-[4-(3,3-diphenylpropylamino)-4-oxobutyl]benzamide
CID 2545215
4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide
CID 26903822
N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]benzamide
CID 111463218
2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide
CID 29293830
4-chloro-N-[4-(cyclopropylmethylamino)-4-oxobutyl]benzamide
CID 46541860
3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649
4-chloro-N-[2-[4-(methylamino)butanoylamino]ethyl]benzamide;hydrochloride
CID 119703400
N-[3-[[N'-methyl-N-[(1-phenylcyclopropyl)methyl]carbamimidoyl]amino]propyl]benzamide;hydroiodide
CID 111856143
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 4-(thiophene-3-carbonylamino)butanoate
CID 55541537
2,4-difluoro-N-[4-oxo-4-[(4-phenyloxan-4-yl)methylamino]butyl]benzamide
CID 55658381

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-oxo-4-[(1-phenylcyclopropyl)methylamino]butyl]benzamide?
The IUPAC name of 4-chloro-N-[4-oxo-4-[(1-phenylcyclopropyl)methylamino]butyl]benzamide (CID 42145645) is 4-chloro-N-[4-oxo-4-[(1-phenylcyclopropyl)methylamino]butyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-oxo-4-[(1-phenylcyclopropyl)methylamino]butyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-oxo-4-[(1-phenylcyclopropyl)methylamino]butyl]benzamide is O=C(CCCNC(=O)c1ccc(Cl)cc1)NCC1(c2ccccc2)CC1.
What is the InChIKey of 4-chloro-N-[4-oxo-4-[(1-phenylcyclopropyl)methylamino]butyl]benzamide?
The InChIKey is MDPZBFMVVQEVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-18-10-8-16(9-11-18)20(26)23-14-4-7-19(25)24-15-21(12-13-21)17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-15H2,(H,23,26)(H,24,25).
What are the key properties of 4-chloro-N-[4-oxo-4-[(1-phenylcyclopropyl)methylamino]butyl]benzamide?
4-chloro-N-[4-oxo-4-[(1-phenylcyclopropyl)methylamino]butyl]benzamide has a molecular weight of 370.88 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-oxo-4-[(1-phenylcyclopropyl)methylamino]butyl]benzamide is sourced from PubChem (CID 42145645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).