N-[(1R,2R)-2-carbamoylcyclohexyl]-3-chloro-4-fluorobenzamide

C14H16ClFN2O2 — CID 124601145

IUPACN-[(1R,2R)-2-carbamoylcyclohexyl]-3-chloro-4-fluorobenzamide
SMILESNC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H16ClFN2O2/c15-10-7-8(5-6-11(10)16)14(20)18-12-4-2-1-3-9(12)13(17)19/h5-7,9,12H,1-4H2,(H2,17,19)(H,18,20)/t9-,12-/m1/s1
InChIKeyLXRUOIVLAMVIGG-BXKDBHETSA-N
MW298.75 g/mol
LogP2.25
Rot. Bonds3

About N-[(1R,2R)-2-carbamoylcyclohexyl]-3-chloro-4-fluorobenzamide

N-[(1R,2R)-2-carbamoylcyclohexyl]-3-chloro-4-fluorobenzamide (PubChem CID 124601145) has the molecular formula C14H16ClFN2O2 and a molecular weight of 298.75 g/mol. Its IUPAC name is N-[(1R,2R)-2-carbamoylcyclohexyl]-3-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-carbamoylcyclohexyl]-3-chloro-4-fluorobenzamide
PubChem CID124601145
Molecular FormulaC14H16ClFN2O2
Molecular Weight298.75 g/mol
Exact Mass298.09
IUPAC NameN-[(1R,2R)-2-carbamoylcyclohexyl]-3-chloro-4-fluorobenzamide
SMILESNC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H16ClFN2O2/c15-10-7-8(5-6-11(10)16)14(20)18-12-4-2-1-3-9(12)13(17)19/h5-7,9,12H,1-4H2,(H2,17,19)(H,18,20)/t9-,12-/m1/s1
InChIKeyLXRUOIVLAMVIGG-BXKDBHETSA-N
XLogP2.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-carbamoylcyclohexyl)-3-chloro-4-fluorobenzamide
CID 122147253
2-[(3-chloro-4-fluorobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 82872618
4-bromo-N-[(1R,2R)-2-carbamoylcyclopentyl]-3-fluorobenzamide
CID 96519279
N-(2-carbamothioylcyclopentyl)-4-chloro-3-fluorobenzamide
CID 107987795
N-[(1R,2R)-2-carbamoylcyclopentyl]-2-fluoropyridine-4-carboxamide
CID 97084906
N-[(1S,2S)-2-carbamoylcyclohexyl]-5-chloropyridine-2-carboxamide
CID 96528381
N-[(1R,2R)-2-aminocyclohexyl]-4-chloro-3-fluorobenzamide
CID 114024825
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
2-[(3-chloro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64815140
2-[(3-bromo-4-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 114025733
3-amino-4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 94413683
3-chloro-N-(2-hydroxycyclohexyl)-4-iodobenzamide
CID 103855445

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-carbamoylcyclohexyl]-3-chloro-4-fluorobenzamide?
The IUPAC name of N-[(1R,2R)-2-carbamoylcyclohexyl]-3-chloro-4-fluorobenzamide (CID 124601145) is N-[(1R,2R)-2-carbamoylcyclohexyl]-3-chloro-4-fluorobenzamide.
What is the SMILES notation for N-[(1R,2R)-2-carbamoylcyclohexyl]-3-chloro-4-fluorobenzamide?
The canonical SMILES for N-[(1R,2R)-2-carbamoylcyclohexyl]-3-chloro-4-fluorobenzamide is NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(1R,2R)-2-carbamoylcyclohexyl]-3-chloro-4-fluorobenzamide?
The InChIKey is LXRUOIVLAMVIGG-BXKDBHETSA-N. The full InChI is InChI=1S/C14H16ClFN2O2/c15-10-7-8(5-6-11(10)16)14(20)18-12-4-2-1-3-9(12)13(17)19/h5-7,9,12H,1-4H2,(H2,17,19)(H,18,20)/t9-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-2-carbamoylcyclohexyl]-3-chloro-4-fluorobenzamide?
N-[(1R,2R)-2-carbamoylcyclohexyl]-3-chloro-4-fluorobenzamide has a molecular weight of 298.75 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-carbamoylcyclohexyl]-3-chloro-4-fluorobenzamide is sourced from PubChem (CID 124601145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).