N-(4-aminocyclohexyl)-3-chloro-2-fluoro-N-propylbenzamide

C16H22ClFN2O — CID 81265864

IUPACN-(4-aminocyclohexyl)-3-chloro-2-fluoro-N-propylbenzamide
SMILESCCCN(C(=O)c1cccc(Cl)c1F)C1CCC(N)CC1
InChIInChI=1S/C16H22ClFN2O/c1-2-10-20(12-8-6-11(19)7-9-12)16(21)13-4-3-5-14(17)15(13)18/h3-5,11-12H,2,6-10,19H2,1H3
InChIKeyVKNRMNSTMSBCCG-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.60
Rot. Bonds4

About N-(4-aminocyclohexyl)-3-chloro-2-fluoro-N-propylbenzamide

N-(4-aminocyclohexyl)-3-chloro-2-fluoro-N-propylbenzamide (PubChem CID 81265864) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-chloro-2-fluoro-N-propylbenzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-chloro-2-fluoro-N-propylbenzamide
PubChem CID81265864
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC NameN-(4-aminocyclohexyl)-3-chloro-2-fluoro-N-propylbenzamide
SMILESCCCN(C(=O)c1cccc(Cl)c1F)C1CCC(N)CC1
InChIInChI=1S/C16H22ClFN2O/c1-2-10-20(12-8-6-11(19)7-9-12)16(21)13-4-3-5-14(17)15(13)18/h3-5,11-12H,2,6-10,19H2,1H3
InChIKeyVKNRMNSTMSBCCG-UHFFFAOYSA-N
XLogP3.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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ethyl 2-[(3-chloro-2-fluorobenzoyl)-cyclopropylamino]acetate
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3-chloro-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide
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N-(4-aminocyclohexyl)-2-fluoro-4-hydroxy-N-propylbenzamide
CID 107677171
N-butyl-N-cyclopropyl-2,3-difluorobenzamide
CID 55210520
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
N-cyclopropyl-2,3-dihydroxy-N-propylbenzamide
CID 114343927
2-amino-N-cyclopropyl-3-methyl-N-propylbenzamide
CID 43269918
N-cyclopropyl-2,3-difluoro-N-propylpyridine-4-carboxamide
CID 105380347
N-(4-aminocyclohexyl)-3-bromo-4-chloro-N-propylbenzamide
CID 107990599
N-cyclopropyl-N-propyl-2-sulfanylbenzamide
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N-(4-aminocyclohexyl)-2-hydroxy-5-methyl-N-propylbenzamide
CID 79116898

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-chloro-2-fluoro-N-propylbenzamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-chloro-2-fluoro-N-propylbenzamide (CID 81265864) is N-(4-aminocyclohexyl)-3-chloro-2-fluoro-N-propylbenzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-chloro-2-fluoro-N-propylbenzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-chloro-2-fluoro-N-propylbenzamide is CCCN(C(=O)c1cccc(Cl)c1F)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-chloro-2-fluoro-N-propylbenzamide?
The InChIKey is VKNRMNSTMSBCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O/c1-2-10-20(12-8-6-11(19)7-9-12)16(21)13-4-3-5-14(17)15(13)18/h3-5,11-12H,2,6-10,19H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-3-chloro-2-fluoro-N-propylbenzamide?
N-(4-aminocyclohexyl)-3-chloro-2-fluoro-N-propylbenzamide has a molecular weight of 312.82 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-chloro-2-fluoro-N-propylbenzamide is sourced from PubChem (CID 81265864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).