N-[3-[[2-(3-bromoanilino)acetyl]amino]-4-chlorophenyl]butanamide

C18H19BrClN3O2 — CID 54840369

IUPACN-[3-[[2-(3-bromoanilino)acetyl]amino]-4-chlorophenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)CNc2cccc(Br)c2)c1
InChIInChI=1S/C18H19BrClN3O2/c1-2-4-17(24)22-14-7-8-15(20)16(10-14)23-18(25)11-21-13-6-3-5-12(19)9-13/h3,5-10,21H,2,4,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyJNKBKYYNHOMCPC-UHFFFAOYSA-N
MW424.73 g/mol
LogP4.89
Rot. Bonds7

About N-[3-[[2-(3-bromoanilino)acetyl]amino]-4-chlorophenyl]butanamide

N-[3-[[2-(3-bromoanilino)acetyl]amino]-4-chlorophenyl]butanamide (PubChem CID 54840369) has the molecular formula C18H19BrClN3O2 and a molecular weight of 424.73 g/mol. Its IUPAC name is N-[3-[[2-(3-bromoanilino)acetyl]amino]-4-chlorophenyl]butanamide.

Molecular Properties

Compound NameN-[3-[[2-(3-bromoanilino)acetyl]amino]-4-chlorophenyl]butanamide
PubChem CID54840369
Molecular FormulaC18H19BrClN3O2
Molecular Weight424.73 g/mol
Exact Mass423.03
IUPAC NameN-[3-[[2-(3-bromoanilino)acetyl]amino]-4-chlorophenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)CNc2cccc(Br)c2)c1
InChIInChI=1S/C18H19BrClN3O2/c1-2-4-17(24)22-14-7-8-15(20)16(10-14)23-18(25)11-21-13-6-3-5-12(19)9-13/h3,5-10,21H,2,4,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyJNKBKYYNHOMCPC-UHFFFAOYSA-N
XLogP4.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.73
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54830652
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54809248
3-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837359
N-[3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-4-chlorophenyl]butanamide
CID 54831415
N-[4-chloro-3-[[2-[3-(3-methylbutoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54824232
N-[4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]phenyl]-3-methylbutanamide
CID 54831817
3-[[2-[5-(butanoylamino)-2-chloroanilino]acetyl]amino]-N,N-dimethylbenzamide
CID 54831270
N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
CID 82034391
2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9080359
4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834442
2-(3-bromoanilino)-N-(4-chlorophenyl)acetamide
CID 9080372
N-[4-chloro-3-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide
CID 54830982

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3-bromoanilino)acetyl]amino]-4-chlorophenyl]butanamide?
The IUPAC name of N-[3-[[2-(3-bromoanilino)acetyl]amino]-4-chlorophenyl]butanamide (CID 54840369) is N-[3-[[2-(3-bromoanilino)acetyl]amino]-4-chlorophenyl]butanamide.
What is the SMILES notation for N-[3-[[2-(3-bromoanilino)acetyl]amino]-4-chlorophenyl]butanamide?
The canonical SMILES for N-[3-[[2-(3-bromoanilino)acetyl]amino]-4-chlorophenyl]butanamide is CCCC(=O)Nc1ccc(Cl)c(NC(=O)CNc2cccc(Br)c2)c1.
What is the InChIKey of N-[3-[[2-(3-bromoanilino)acetyl]amino]-4-chlorophenyl]butanamide?
The InChIKey is JNKBKYYNHOMCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN3O2/c1-2-4-17(24)22-14-7-8-15(20)16(10-14)23-18(25)11-21-13-6-3-5-12(19)9-13/h3,5-10,21H,2,4,11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[[2-(3-bromoanilino)acetyl]amino]-4-chlorophenyl]butanamide?
N-[3-[[2-(3-bromoanilino)acetyl]amino]-4-chlorophenyl]butanamide has a molecular weight of 424.73 g/mol, XLogP of 4.89, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3-bromoanilino)acetyl]amino]-4-chlorophenyl]butanamide is sourced from PubChem (CID 54840369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).