N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide

C13H17BrN2O2 — CID 18112658

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]pentanamide
SMILESCCCCC(=O)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C13H17BrN2O2/c1-2-3-8-12(17)15-9-13(18)16-11-7-5-4-6-10(11)14/h4-7H,2-3,8-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyQBMHGQZJFMZFHR-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.69
Rot. Bonds6

About N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide

N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide (PubChem CID 18112658) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]pentanamide
PubChem CID18112658
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]pentanamide
SMILESCCCCC(=O)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C13H17BrN2O2/c1-2-3-8-12(17)15-9-13(18)16-11-7-5-4-6-10(11)14/h4-7H,2-3,8-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyQBMHGQZJFMZFHR-UHFFFAOYSA-N
XLogP2.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-fluoroanilino)-2-oxoethyl]pentanamide
CID 42765949
N-(2-bromophenyl)butanamide
CID 732405
N-(2-bromophenyl)-2-(hexylamino)acetamide
CID 60648819
N-[2-(2-fluoroanilino)-2-oxoethyl]nonanamide
CID 42765956
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpentanamide
CID 27800739
N-(2-bromophenyl)-2-(hexan-2-ylamino)acetamide
CID 55050254
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide
CID 24681693
N-[2-(2-bromoanilino)-2-oxoethyl]hexa-2,4-dienamide
CID 47101356
(2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-phenylpentanamide
CID 9440741
N-(2-bromophenyl)-2-[[2-(2-methylphenoxy)acetyl]amino]acetamide
CID 8503107
5-(2-bromoanilino)-5-oxopentanoate
CID 6939173

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide (CID 18112658) is N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide is CCCCC(=O)NCC(=O)Nc1ccccc1Br.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide?
The InChIKey is QBMHGQZJFMZFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-2-3-8-12(17)15-9-13(18)16-11-7-5-4-6-10(11)14/h4-7H,2-3,8-9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide?
N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide has a molecular weight of 313.19 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide is sourced from PubChem (CID 18112658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).