3-bromo-N-[(3-chlorophenyl)methyl]propanamide

C10H11BrClNO — CID 82109966

IUPAC3-bromo-N-[(3-chlorophenyl)methyl]propanamide
SMILESO=C(CCBr)NCc1cccc(Cl)c1
InChIInChI=1S/C10H11BrClNO/c11-5-4-10(14)13-7-8-2-1-3-9(12)6-8/h1-3,6H,4-5,7H2,(H,13,14)
InChIKeyHAOQAICDNUPREO-UHFFFAOYSA-N
MW276.56 g/mol
LogP2.74
Rot. Bonds4

About 3-bromo-N-[(3-chlorophenyl)methyl]propanamide

3-bromo-N-[(3-chlorophenyl)methyl]propanamide (PubChem CID 82109966) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is 3-bromo-N-[(3-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-bromo-N-[(3-chlorophenyl)methyl]propanamide
PubChem CID82109966
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC Name3-bromo-N-[(3-chlorophenyl)methyl]propanamide
SMILESO=C(CCBr)NCc1cccc(Cl)c1
InChIInChI=1S/C10H11BrClNO/c11-5-4-10(14)13-7-8-2-1-3-9(12)6-8/h1-3,6H,4-5,7H2,(H,13,14)
InChIKeyHAOQAICDNUPREO-UHFFFAOYSA-N
XLogP2.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(3-chlorophenyl)methyl]butanamide
CID 17071148
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
5-(carbamoylamino)-N-[(3-chlorophenyl)methyl]pentanamide
CID 9209918
3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide
CID 118607410
N-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 18205641
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide
CID 107272767
N-[(3-chlorophenyl)methyl]-3-(2-fluorophenoxy)propanamide
CID 51158751
4-(3-bromophenoxy)-N-[(3-chlorophenyl)methyl]butanamide
CID 7959313
tert-butyl N-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]carbamate
CID 9209944
2-[2-[(3-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 60708141
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-chlorophenyl)methyl]propanamide?
The IUPAC name of 3-bromo-N-[(3-chlorophenyl)methyl]propanamide (CID 82109966) is 3-bromo-N-[(3-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-bromo-N-[(3-chlorophenyl)methyl]propanamide?
The canonical SMILES for 3-bromo-N-[(3-chlorophenyl)methyl]propanamide is O=C(CCBr)NCc1cccc(Cl)c1.
What is the InChIKey of 3-bromo-N-[(3-chlorophenyl)methyl]propanamide?
The InChIKey is HAOQAICDNUPREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO/c11-5-4-10(14)13-7-8-2-1-3-9(12)6-8/h1-3,6H,4-5,7H2,(H,13,14).
What are the key properties of 3-bromo-N-[(3-chlorophenyl)methyl]propanamide?
3-bromo-N-[(3-chlorophenyl)methyl]propanamide has a molecular weight of 276.56 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 82109966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).