4-chloro-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-nitrobenzamide

C19H18ClFN2O3 — CID 60555753

IUPAC4-chloro-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-nitrobenzamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCCC1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C19H18ClFN2O3/c20-14-5-8-16(17(11-14)23(25)26)18(24)22-12-19(9-1-2-10-19)13-3-6-15(21)7-4-13/h3-8,11H,1-2,9-10,12H2,(H,22,24)
InChIKeyZRGQPCKDNHYBTA-UHFFFAOYSA-N
MW376.82 g/mol
LogP4.63
Rot. Bonds5

About 4-chloro-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-nitrobenzamide

4-chloro-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-nitrobenzamide (PubChem CID 60555753) has the molecular formula C19H18ClFN2O3 and a molecular weight of 376.82 g/mol. Its IUPAC name is 4-chloro-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-nitrobenzamide
PubChem CID60555753
Molecular FormulaC19H18ClFN2O3
Molecular Weight376.82 g/mol
Exact Mass376.10
IUPAC Name4-chloro-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-nitrobenzamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCCC1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C19H18ClFN2O3/c20-14-5-8-16(17(11-14)23(25)26)18(24)22-12-19(9-1-2-10-19)13-3-6-15(21)7-4-13/h3-8,11H,1-2,9-10,12H2,(H,22,24)
InChIKeyZRGQPCKDNHYBTA-UHFFFAOYSA-N
XLogP4.63
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-nitrobenzamide
CID 42266014
4-chloro-N-[(1-hydroxycyclohexyl)methyl]-2-nitrobenzamide
CID 64868492
4-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-nitrobenzamide
CID 114758174
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-nitrobenzamide
CID 27450099
2-bromo-5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide
CID 78891040
4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-nitrobenzamide;hydrochloride
CID 120887351
4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-nitrobenzamide
CID 18150649
N-[(1-aminocyclohexyl)methyl]-5-chloro-2-nitrobenzamide
CID 119404114
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluoro-2-nitrobenzamide
CID 115364005
5-chloro-N-[(1-methylcyclohexyl)methyl]-2-nitrobenzamide
CID 103753259
1-[(4-chloro-2-nitrobenzoyl)amino]-3-[(4-fluorophenyl)methyl]thiourea
CID 8941766
2-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-sulfamoylbenzamide
CID 60555860

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-nitrobenzamide?
The IUPAC name of 4-chloro-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-nitrobenzamide (CID 60555753) is 4-chloro-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-nitrobenzamide?
The canonical SMILES for 4-chloro-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-nitrobenzamide is O=C(NCC1(c2ccc(F)cc2)CCCC1)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-nitrobenzamide?
The InChIKey is ZRGQPCKDNHYBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O3/c20-14-5-8-16(17(11-14)23(25)26)18(24)22-12-19(9-1-2-10-19)13-3-6-15(21)7-4-13/h3-8,11H,1-2,9-10,12H2,(H,22,24).
What are the key properties of 4-chloro-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-nitrobenzamide?
4-chloro-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-nitrobenzamide has a molecular weight of 376.82 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-nitrobenzamide is sourced from PubChem (CID 60555753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).