2-chloro-N-cyclohexyl-5-[(3-propoxybenzoyl)amino]benzamide

C23H27ClN2O3 — CID 17188531

IUPAC2-chloro-N-cyclohexyl-5-[(3-propoxybenzoyl)amino]benzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C23H27ClN2O3/c1-2-13-29-19-10-6-7-16(14-19)22(27)26-18-11-12-21(24)20(15-18)23(28)25-17-8-4-3-5-9-17/h6-7,10-12,14-15,17H,2-5,8-9,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyVGHRWATWZGCXGR-UHFFFAOYSA-N
MW414.93 g/mol
LogP5.44
Rot. Bonds7

About 2-chloro-N-cyclohexyl-5-[(3-propoxybenzoyl)amino]benzamide

2-chloro-N-cyclohexyl-5-[(3-propoxybenzoyl)amino]benzamide (PubChem CID 17188531) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-[(3-propoxybenzoyl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-[(3-propoxybenzoyl)amino]benzamide
PubChem CID17188531
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC Name2-chloro-N-cyclohexyl-5-[(3-propoxybenzoyl)amino]benzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C23H27ClN2O3/c1-2-13-29-19-10-6-7-16(14-19)22(27)26-18-11-12-21(24)20(15-18)23(28)25-17-8-4-3-5-9-17/h6-7,10-12,14-15,17H,2-5,8-9,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyVGHRWATWZGCXGR-UHFFFAOYSA-N
XLogP5.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.93
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-3-propoxybenzamide
CID 4960053
2-chloro-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17188518
2-chloro-N-cyclohexyl-5-[[3-(propylsulfonylamino)benzoyl]amino]benzamide
CID 55978369
2-[(3-butoxybenzoyl)amino]-N-cyclohexylbenzamide
CID 4956533
2-chloro-N-cyclohexyl-5-[[4-(2-phenylethoxy)benzoyl]amino]benzamide
CID 17188525
N-(3-bromo-4-methylphenyl)-3-propoxybenzamide
CID 63529162
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide
CID 4960108
2-chloro-N-cyclohexyl-5-[(2-propoxybenzoyl)carbamothioylamino]benzamide
CID 17188749
3-bromo-N-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-propoxybenzamide
CID 17188768
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17188463
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-[(3-propoxybenzoyl)amino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-[(3-propoxybenzoyl)amino]benzamide (CID 17188531) is 2-chloro-N-cyclohexyl-5-[(3-propoxybenzoyl)amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-[(3-propoxybenzoyl)amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-[(3-propoxybenzoyl)amino]benzamide is CCCOc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-[(3-propoxybenzoyl)amino]benzamide?
The InChIKey is VGHRWATWZGCXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-2-13-29-19-10-6-7-16(14-19)22(27)26-18-11-12-21(24)20(15-18)23(28)25-17-8-4-3-5-9-17/h6-7,10-12,14-15,17H,2-5,8-9,13H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-chloro-N-cyclohexyl-5-[(3-propoxybenzoyl)amino]benzamide?
2-chloro-N-cyclohexyl-5-[(3-propoxybenzoyl)amino]benzamide has a molecular weight of 414.93 g/mol, XLogP of 5.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-[(3-propoxybenzoyl)amino]benzamide is sourced from PubChem (CID 17188531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).