2-(3-bromophenyl)-N-(1-chloro-4-methylpentan-2-yl)acetamide

C14H19BrClNO — CID 113272495

IUPAC2-(3-bromophenyl)-N-(1-chloro-4-methylpentan-2-yl)acetamide
SMILESCC(C)CC(CCl)NC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C14H19BrClNO/c1-10(2)6-13(9-16)17-14(18)8-11-4-3-5-12(15)7-11/h3-5,7,10,13H,6,8-9H2,1-2H3,(H,17,18)
InChIKeyFSUMVUAZJXAQDW-UHFFFAOYSA-N
MW332.67 g/mol
LogP3.76
Rot. Bonds6

About 2-(3-bromophenyl)-N-(1-chloro-4-methylpentan-2-yl)acetamide

2-(3-bromophenyl)-N-(1-chloro-4-methylpentan-2-yl)acetamide (PubChem CID 113272495) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(1-chloro-4-methylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(1-chloro-4-methylpentan-2-yl)acetamide
PubChem CID113272495
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC Name2-(3-bromophenyl)-N-(1-chloro-4-methylpentan-2-yl)acetamide
SMILESCC(C)CC(CCl)NC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C14H19BrClNO/c1-10(2)6-13(9-16)17-14(18)8-11-4-3-5-12(15)7-11/h3-5,7,10,13H,6,8-9H2,1-2H3,(H,17,18)
InChIKeyFSUMVUAZJXAQDW-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 53.76
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

N-(1-aminobutan-2-yl)-2-(3-bromophenyl)acetamide
CID 65193942
N-[(2R)-1-aminopropan-2-yl]-2-(3-bromophenyl)acetamide
CID 104873054
2-(3-bromophenyl)-N-[(2R)-pentan-2-yl]acetamide
CID 100699011
N-(1-amino-3-methylbutan-2-yl)-2-(3-bromophenyl)acetamide
CID 65192905
2,4-dibromo-N-(1-chloro-4-methylpentan-2-yl)benzamide
CID 107941159
N-(1-amino-4-methylpentan-2-yl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride
CID 119587419
N-(1-chlorobutan-2-yl)-2-(3-hydroxyphenyl)acetamide
CID 114294400
N-[(3-bromophenyl)methyl]-2,6-dimethylheptan-4-amine
CID 63454056
5-[[2-(3-bromophenyl)acetyl]amino]hexanoic acid
CID 82854620
2-(3-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 133189879
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
(2S)-2-[(3-bromophenyl)methylamino]-4-methylpentan-1-ol
CID 71415314

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(1-chloro-4-methylpentan-2-yl)acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-(1-chloro-4-methylpentan-2-yl)acetamide (CID 113272495) is 2-(3-bromophenyl)-N-(1-chloro-4-methylpentan-2-yl)acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-(1-chloro-4-methylpentan-2-yl)acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-(1-chloro-4-methylpentan-2-yl)acetamide is CC(C)CC(CCl)NC(=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-(1-chloro-4-methylpentan-2-yl)acetamide?
The InChIKey is FSUMVUAZJXAQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c1-10(2)6-13(9-16)17-14(18)8-11-4-3-5-12(15)7-11/h3-5,7,10,13H,6,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-(3-bromophenyl)-N-(1-chloro-4-methylpentan-2-yl)acetamide?
2-(3-bromophenyl)-N-(1-chloro-4-methylpentan-2-yl)acetamide has a molecular weight of 332.67 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(1-chloro-4-methylpentan-2-yl)acetamide is sourced from PubChem (CID 113272495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).