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

C18H19BrClN3O2 — CID 54831415

IUPACN-[3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-4-chlorophenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NCC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C18H19BrClN3O2/c1-2-5-17(24)22-12-8-9-14(20)16(10-12)21-11-18(25)23-15-7-4-3-6-13(15)19/h3-4,6-10,21H,2,5,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyDZYUMOOAXOFBNA-UHFFFAOYSA-N
MW424.73 g/mol
LogP4.89
Rot. Bonds7

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

N-[3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-4-chlorophenyl]butanamide (PubChem CID 54831415) has the molecular formula C18H19BrClN3O2 and a molecular weight of 424.73 g/mol. Its IUPAC name is N-[3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-4-chlorophenyl]butanamide.

Molecular Properties

Compound NameN-[3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-4-chlorophenyl]butanamide
PubChem CID54831415
Molecular FormulaC18H19BrClN3O2
Molecular Weight424.73 g/mol
Exact Mass423.03
IUPAC NameN-[3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-4-chlorophenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NCC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C18H19BrClN3O2/c1-2-5-17(24)22-12-8-9-14(20)16(10-12)21-11-18(25)23-15-7-4-3-6-13(15)19/h3-4,6-10,21H,2,5,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyDZYUMOOAXOFBNA-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-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]butanamide
CID 54810199
N-[3-[[2-(3-bromoanilino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54840369
N-[4-chloro-3-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54831351
N-[4-chloro-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]butanamide
CID 54830975
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54809248
N-(2-bromophenyl)butanamide
CID 732405
4-[[2-[5-(butanoylamino)-2-chloroanilino]acetyl]amino]-N-methylbenzamide
CID 54831238
N-[4-chloro-3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]butanamide
CID 54831228
N-[4-chloro-3-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide
CID 54830982
3-[[2-[5-(butanoylamino)-2-chloroanilino]acetyl]amino]-N,N-dimethylbenzamide
CID 54831270
N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
CID 82034391
N-[3-[[2-(2,4,5-trichloroanilino)acetyl]amino]phenyl]butanamide
CID 54816397

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-4-chlorophenyl]butanamide?
The IUPAC name of N-[3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-4-chlorophenyl]butanamide (CID 54831415) is N-[3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-4-chlorophenyl]butanamide.
What is the SMILES notation for N-[3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-4-chlorophenyl]butanamide?
The canonical SMILES for N-[3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-4-chlorophenyl]butanamide is CCCC(=O)Nc1ccc(Cl)c(NCC(=O)Nc2ccccc2Br)c1.
What is the InChIKey of N-[3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-4-chlorophenyl]butanamide?
The InChIKey is DZYUMOOAXOFBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN3O2/c1-2-5-17(24)22-12-8-9-14(20)16(10-12)21-11-18(25)23-15-7-4-3-6-13(15)19/h3-4,6-10,21H,2,5,11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-4-chlorophenyl]butanamide?
N-[3-[[2-(2-bromoanilino)-2-oxoethyl]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-(2-bromoanilino)-2-oxoethyl]amino]-4-chlorophenyl]butanamide is sourced from PubChem (CID 54831415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).