2-chloro-N-cyclohexyl-5-[2-(3-methylphenoxy)propanoylamino]benzamide

C23H27ClN2O3 — CID 17188475

IUPAC2-chloro-N-cyclohexyl-5-[2-(3-methylphenoxy)propanoylamino]benzamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C23H27ClN2O3/c1-15-7-6-10-19(13-15)29-16(2)22(27)26-18-11-12-21(24)20(14-18)23(28)25-17-8-4-3-5-9-17/h6-7,10-14,16-17H,3-5,8-9H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyNTIQPKKHMQWOPY-UHFFFAOYSA-N
MW414.93 g/mol
LogP5.12
Rot. Bonds6

About 2-chloro-N-cyclohexyl-5-[2-(3-methylphenoxy)propanoylamino]benzamide

2-chloro-N-cyclohexyl-5-[2-(3-methylphenoxy)propanoylamino]benzamide (PubChem CID 17188475) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-[2-(3-methylphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-[2-(3-methylphenoxy)propanoylamino]benzamide
PubChem CID17188475
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC Name2-chloro-N-cyclohexyl-5-[2-(3-methylphenoxy)propanoylamino]benzamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C23H27ClN2O3/c1-15-7-6-10-19(13-15)29-16(2)22(27)26-18-11-12-21(24)20(14-18)23(28)25-17-8-4-3-5-9-17/h6-7,10-14,16-17H,3-5,8-9H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyNTIQPKKHMQWOPY-UHFFFAOYSA-N
XLogP5.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.93
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[2-(4-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide
CID 17188484
N-cyclododecyl-2-(3-methylphenoxy)propanamide
CID 3912808
N-cyclooctyl-2-(3-methylphenoxy)propanamide
CID 2976571
2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54822256
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
(2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide
CID 2231697
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
2-chloro-N-cyclohexyl-5-[(3-propoxybenzoyl)amino]benzamide
CID 17188531
N-cyclohexyl-2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 2236056
4-[2-(4-tert-butylphenoxy)propanoylamino]-2-chloro-N-cyclopropylbenzamide
CID 55805243
2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide
CID 17188425

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-[2-(3-methylphenoxy)propanoylamino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-[2-(3-methylphenoxy)propanoylamino]benzamide (CID 17188475) is 2-chloro-N-cyclohexyl-5-[2-(3-methylphenoxy)propanoylamino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-[2-(3-methylphenoxy)propanoylamino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-[2-(3-methylphenoxy)propanoylamino]benzamide is Cc1cccc(OC(C)C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-[2-(3-methylphenoxy)propanoylamino]benzamide?
The InChIKey is NTIQPKKHMQWOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-15-7-6-10-19(13-15)29-16(2)22(27)26-18-11-12-21(24)20(14-18)23(28)25-17-8-4-3-5-9-17/h6-7,10-14,16-17H,3-5,8-9H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 2-chloro-N-cyclohexyl-5-[2-(3-methylphenoxy)propanoylamino]benzamide?
2-chloro-N-cyclohexyl-5-[2-(3-methylphenoxy)propanoylamino]benzamide has a molecular weight of 414.93 g/mol, XLogP of 5.12, 6 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-[2-(3-methylphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 17188475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).