N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide

C18H20ClN3O2 — CID 54809062

IUPACN-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)CNc2cccc(Cl)c2)c1
InChIInChI=1S/C18H20ClN3O2/c1-12(2)18(24)22-16-8-4-7-15(10-16)21-17(23)11-20-14-6-3-5-13(19)9-14/h3-10,12,20H,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyQRFWNHHTYFXQDB-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.99
Rot. Bonds6

About N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide

N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide (PubChem CID 54809062) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
PubChem CID54809062
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)CNc2cccc(Cl)c2)c1
InChIInChI=1S/C18H20ClN3O2/c1-12(2)18(24)22-16-8-4-7-15(10-16)21-17(23)11-20-14-6-3-5-13(19)9-14/h3-10,12,20H,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyQRFWNHHTYFXQDB-UHFFFAOYSA-N
XLogP3.99
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54831495
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54813263
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809331
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831626
N-[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54810373
2-(3-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54809235
N-[4-[[2-(3-chloroanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54809091
2-(3-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809371
N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835550
N-ethyl-4-[[2-[3-(2-methylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54831796
N-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide
CID 54830466
2-methyl-N-[3-[[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]amino]phenyl]propanamide
CID 54831765

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide (CID 54809062) is N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(NC(=O)CNc2cccc(Cl)c2)c1.
What is the InChIKey of N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide?
The InChIKey is QRFWNHHTYFXQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-12(2)18(24)22-16-8-4-7-15(10-16)21-17(23)11-20-14-6-3-5-13(19)9-14/h3-10,12,20H,11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide?
N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide has a molecular weight of 345.83 g/mol, XLogP of 3.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 54809062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).