N-[4-[[2-(3-chloroanilino)acetyl]amino]phenyl]-3-methylbutanamide

C19H22ClN3O2 — CID 54809091

IUPACN-[4-[[2-(3-chloroanilino)acetyl]amino]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)CNc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H22ClN3O2/c1-13(2)10-18(24)22-15-6-8-16(9-7-15)23-19(25)12-21-17-5-3-4-14(20)11-17/h3-9,11,13,21H,10,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyWJUYWLXYTZJRBX-UHFFFAOYSA-N
MW359.86 g/mol
LogP4.38
Rot. Bonds7

About N-[4-[[2-(3-chloroanilino)acetyl]amino]phenyl]-3-methylbutanamide

N-[4-[[2-(3-chloroanilino)acetyl]amino]phenyl]-3-methylbutanamide (PubChem CID 54809091) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-[4-[[2-(3-chloroanilino)acetyl]amino]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[[2-(3-chloroanilino)acetyl]amino]phenyl]-3-methylbutanamide
PubChem CID54809091
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-[4-[[2-(3-chloroanilino)acetyl]amino]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)CNc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H22ClN3O2/c1-13(2)10-18(24)22-15-6-8-16(9-7-15)23-19(25)12-21-17-5-3-4-14(20)11-17/h3-9,11,13,21H,10,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyWJUYWLXYTZJRBX-UHFFFAOYSA-N
XLogP4.38
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809371
N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809062
2-(3-chloroanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54809291
2-(3-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54809235
2-(3-chloroanilino)-N-[4-(dimethylamino)phenyl]acetamide
CID 109008440
N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835550
N-[4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]phenyl]-3-methylbutanamide
CID 54831753
N-(3-chlorophenyl)-2-(naphthalen-2-ylamino)acetamide
CID 9082694
N-(4-chlorophenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54829967
4-[[2-(3-chloroanilino)acetyl]amino]-N-propylbenzamide
CID 54809400
N-methyl-3-[[2-[4-(3-methylbutanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
CID 54837466
2-(4-bromo-3-chloroanilino)-N-(3-chlorophenyl)acetamide
CID 107619813

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3-chloroanilino)acetyl]amino]phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-[[2-(3-chloroanilino)acetyl]amino]phenyl]-3-methylbutanamide (CID 54809091) is N-[4-[[2-(3-chloroanilino)acetyl]amino]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[[2-(3-chloroanilino)acetyl]amino]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[[2-(3-chloroanilino)acetyl]amino]phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(NC(=O)CNc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[4-[[2-(3-chloroanilino)acetyl]amino]phenyl]-3-methylbutanamide?
The InChIKey is WJUYWLXYTZJRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-13(2)10-18(24)22-15-6-8-16(9-7-15)23-19(25)12-21-17-5-3-4-14(20)11-17/h3-9,11,13,21H,10,12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[[2-(3-chloroanilino)acetyl]amino]phenyl]-3-methylbutanamide?
N-[4-[[2-(3-chloroanilino)acetyl]amino]phenyl]-3-methylbutanamide has a molecular weight of 359.86 g/mol, XLogP of 4.38, 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-chloroanilino)acetyl]amino]phenyl]-3-methylbutanamide is sourced from PubChem (CID 54809091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).