4-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-cyclohexylbenzamide

C22H26ClN3O2 — CID 54814827

IUPAC4-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-cyclohexylbenzamide
SMILESCc1c(Cl)cccc1NCC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C22H26ClN3O2/c1-15-19(23)8-5-9-20(15)24-14-21(27)25-18-12-10-16(11-13-18)22(28)26-17-6-3-2-4-7-17/h5,8-13,17,24H,2-4,6-7,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyJONQEZCMDBCEMV-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.76
Rot. Bonds6

About 4-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-cyclohexylbenzamide

4-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-cyclohexylbenzamide (PubChem CID 54814827) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 4-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name4-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-cyclohexylbenzamide
PubChem CID54814827
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name4-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-cyclohexylbenzamide
SMILESCc1c(Cl)cccc1NCC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C22H26ClN3O2/c1-15-19(23)8-5-9-20(15)24-14-21(27)25-18-12-10-16(11-13-18)22(28)26-17-6-3-2-4-7-17/h5,8-13,17,24H,2-4,6-7,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyJONQEZCMDBCEMV-UHFFFAOYSA-N
XLogP4.76
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-[[2-(2,3-dimethylanilino)acetyl]amino]benzamide
CID 54816101
4-[[2-(2-bromoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54816658
4-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54816004
4-[(3-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide
CID 17180528
2-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54811917
N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810258
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54844186
N-cyclohexyl-3-[[2-(2,4,5-trichloroanilino)acetyl]amino]benzamide
CID 54816369
N-[4-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide
CID 54815126
4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]-N-cyclohexylbenzamide
CID 54841677
4-[[2-(cyclohexylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 1442013
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-cyclohexylbenzamide?
The IUPAC name of 4-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-cyclohexylbenzamide (CID 54814827) is 4-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-cyclohexylbenzamide.
What is the SMILES notation for 4-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-cyclohexylbenzamide?
The canonical SMILES for 4-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-cyclohexylbenzamide is Cc1c(Cl)cccc1NCC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1.
What is the InChIKey of 4-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-cyclohexylbenzamide?
The InChIKey is JONQEZCMDBCEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-15-19(23)8-5-9-20(15)24-14-21(27)25-18-12-10-16(11-13-18)22(28)26-17-6-3-2-4-7-17/h5,8-13,17,24H,2-4,6-7,14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 4-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-cyclohexylbenzamide?
4-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-cyclohexylbenzamide has a molecular weight of 399.92 g/mol, XLogP of 4.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-cyclohexylbenzamide is sourced from PubChem (CID 54814827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).