N-[4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]phenyl]-3-methylbutanamide

C20H24ClN3O2 — CID 54831753

IUPACN-[4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]phenyl]-3-methylbutanamide
SMILESCc1c(Cl)cccc1NC(=O)CNc1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C20H24ClN3O2/c1-13(2)11-19(25)23-16-9-7-15(8-10-16)22-12-20(26)24-18-6-4-5-17(21)14(18)3/h4-10,13,22H,11-12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyDKYILNYPEQHJJS-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.68
Rot. Bonds7

About N-[4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]phenyl]-3-methylbutanamide

N-[4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]phenyl]-3-methylbutanamide (PubChem CID 54831753) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-[4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]phenyl]-3-methylbutanamide
PubChem CID54831753
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-[4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]phenyl]-3-methylbutanamide
SMILESCc1c(Cl)cccc1NC(=O)CNc1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C20H24ClN3O2/c1-13(2)11-19(25)23-16-9-7-15(8-10-16)22-12-20(26)24-18-6-4-5-17(21)14(18)3/h4-10,13,22H,11-12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyDKYILNYPEQHJJS-UHFFFAOYSA-N
XLogP4.68
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830208
N-[4-[[2-(3-chloroanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54809091
N-[4-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide
CID 54815126
N'-(3-chloro-2-methylphenyl)-N-(4-chlorophenyl)propanediamide
CID 108955010
N-[4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]phenyl]-3-methylbutanamide
CID 54831817
2-(4-acetamidoanilino)-N-(2,3-dichlorophenyl)acetamide
CID 54808241
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54813431
N-(3-chloro-2-methylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 33162844
N-(3-chloro-2-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
CID 54823958
N-(3-chloro-2-methylphenyl)-3-methoxybutanamide
CID 47091350
3-(4-acetamidoanilino)-N-(3-chloro-2-methylphenyl)propanamide
CID 109038281
4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 55917932

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]phenyl]-3-methylbutanamide (CID 54831753) is N-[4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]phenyl]-3-methylbutanamide is Cc1c(Cl)cccc1NC(=O)CNc1ccc(NC(=O)CC(C)C)cc1.
What is the InChIKey of N-[4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]phenyl]-3-methylbutanamide?
The InChIKey is DKYILNYPEQHJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-13(2)11-19(25)23-16-9-7-15(8-10-16)22-12-20(26)24-18-6-4-5-17(21)14(18)3/h4-10,13,22H,11-12H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]phenyl]-3-methylbutanamide?
N-[4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]phenyl]-3-methylbutanamide has a molecular weight of 373.88 g/mol, XLogP of 4.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]phenyl]-3-methylbutanamide is sourced from PubChem (CID 54831753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).