2-chloro-N-[4-(cyclohexanecarbonylamino)-2-methoxyphenyl]benzamide

C21H23ClN2O3 — CID 51003236

IUPAC2-chloro-N-[4-(cyclohexanecarbonylamino)-2-methoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)C2CCCCC2)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C21H23ClN2O3/c1-27-19-13-15(23-20(25)14-7-3-2-4-8-14)11-12-18(19)24-21(26)16-9-5-6-10-17(16)22/h5-6,9-14H,2-4,7-8H2,1H3,(H,23,25)(H,24,26)
InChIKeySRWWMRVOWRSOIO-UHFFFAOYSA-N
MW386.88 g/mol
LogP5.12
Rot. Bonds5

About 2-chloro-N-[4-(cyclohexanecarbonylamino)-2-methoxyphenyl]benzamide

2-chloro-N-[4-(cyclohexanecarbonylamino)-2-methoxyphenyl]benzamide (PubChem CID 51003236) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-chloro-N-[4-(cyclohexanecarbonylamino)-2-methoxyphenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(cyclohexanecarbonylamino)-2-methoxyphenyl]benzamide
PubChem CID51003236
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name2-chloro-N-[4-(cyclohexanecarbonylamino)-2-methoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)C2CCCCC2)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C21H23ClN2O3/c1-27-19-13-15(23-20(25)14-7-3-2-4-8-14)11-12-18(19)24-21(26)16-9-5-6-10-17(16)22/h5-6,9-14H,2-4,7-8H2,1H3,(H,23,25)(H,24,26)
InChIKeySRWWMRVOWRSOIO-UHFFFAOYSA-N
XLogP5.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.88
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Benzamide, N-(4-amino-2,5-diethoxyphenyl)-
CID 67108
4-chloro-N-(2,5-dimethoxyphenyl)benzamide
CID 307426
N,N'-Bis(3-methoxyphenyl)terephthalamide
CID 248372
2-chloro-N-(4-methoxyphenyl)benzamide
CID 346660
Fast Blue RR
CID 93116
Fast Violet B
CID 66830
4-Benzoylamino-2,5-dimethoxyaniline
CID 80442
N-(2-Chloro-4-fluorobenzoyl)-N'-(5-hydroxy-2-methoxyphenyl)urea
CID 9547901
3,4-dichloro-N-(3-methoxyphenyl)benzamide
CID 835122
Benzamide, N-(4-amino-5-chloro-2-methoxyphenyl)-
CID 80727
N-(2,5-dimethoxyphenyl)-4-methylbenzamide
CID 531831
2',5'-Diethoxybenzanilide
CID 66700

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(cyclohexanecarbonylamino)-2-methoxyphenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-(cyclohexanecarbonylamino)-2-methoxyphenyl]benzamide (CID 51003236) is 2-chloro-N-[4-(cyclohexanecarbonylamino)-2-methoxyphenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(cyclohexanecarbonylamino)-2-methoxyphenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(cyclohexanecarbonylamino)-2-methoxyphenyl]benzamide is COc1cc(NC(=O)C2CCCCC2)ccc1NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-(cyclohexanecarbonylamino)-2-methoxyphenyl]benzamide?
The InChIKey is SRWWMRVOWRSOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-27-19-13-15(23-20(25)14-7-3-2-4-8-14)11-12-18(19)24-21(26)16-9-5-6-10-17(16)22/h5-6,9-14H,2-4,7-8H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-chloro-N-[4-(cyclohexanecarbonylamino)-2-methoxyphenyl]benzamide?
2-chloro-N-[4-(cyclohexanecarbonylamino)-2-methoxyphenyl]benzamide has a molecular weight of 386.88 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(cyclohexanecarbonylamino)-2-methoxyphenyl]benzamide is sourced from PubChem (CID 51003236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).