2-(3-bromoanilino)pentanamide

C11H15BrN2O — CID 61005208

IUPAC2-(3-bromoanilino)pentanamide
SMILESCCCC(Nc1cccc(Br)c1)C(N)=O
InChIInChI=1S/C11H15BrN2O/c1-2-4-10(11(13)15)14-9-6-3-5-8(12)7-9/h3,5-7,10,14H,2,4H2,1H3,(H2,13,15)
InChIKeyAKWMNMVTNHZQHL-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.52
Rot. Bonds5

About 2-(3-bromoanilino)pentanamide

2-(3-bromoanilino)pentanamide (PubChem CID 61005208) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-(3-bromoanilino)pentanamide.

Molecular Properties

Compound Name2-(3-bromoanilino)pentanamide
PubChem CID61005208
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-(3-bromoanilino)pentanamide
SMILESCCCC(Nc1cccc(Br)c1)C(N)=O
InChIInChI=1S/C11H15BrN2O/c1-2-4-10(11(13)15)14-9-6-3-5-8(12)7-9/h3,5-7,10,14H,2,4H2,1H3,(H2,13,15)
InChIKeyAKWMNMVTNHZQHL-UHFFFAOYSA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromoanilino)nonanamide
CID 54892272
2-(3-bromoanilino)-3-hydroxypropanamide
CID 104711177
methyl 2-(3-bromoanilino)hexanoate
CID 61351760
(2S)-2-[3-(trifluoromethyl)anilino]pentanamide
CID 91617003
2-[(3-bromophenyl)carbamoylamino]pentanoic acid
CID 61191177
(2S)-2-(3-methylanilino)pentanoic acid
CID 40788448
3-amino-2-(3-bromoanilino)-3-oxopropanoic acid
CID 67723108
2-(3-propan-2-ylanilino)butanamide
CID 62900215
2-(3-bromoanilino)-4-methylpentanoic acid
CID 60993001
3-hydroxy-2-(3-methylanilino)propanamide
CID 104711172
2-anilinoheptanamide
CID 61005049
4,4-dimethyl-2-(3-methylanilino)pentanamide
CID 62950237

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)pentanamide?
The IUPAC name of 2-(3-bromoanilino)pentanamide (CID 61005208) is 2-(3-bromoanilino)pentanamide.
What is the SMILES notation for 2-(3-bromoanilino)pentanamide?
The canonical SMILES for 2-(3-bromoanilino)pentanamide is CCCC(Nc1cccc(Br)c1)C(N)=O.
What is the InChIKey of 2-(3-bromoanilino)pentanamide?
The InChIKey is AKWMNMVTNHZQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-2-4-10(11(13)15)14-9-6-3-5-8(12)7-9/h3,5-7,10,14H,2,4H2,1H3,(H2,13,15).
What are the key properties of 2-(3-bromoanilino)pentanamide?
2-(3-bromoanilino)pentanamide has a molecular weight of 271.16 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)pentanamide is sourced from PubChem (CID 61005208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).