4-(3-bromophenoxy)-N-[(3-chlorophenyl)methyl]butanamide

C17H17BrClNO2 — CID 7959313

IUPAC4-(3-bromophenoxy)-N-[(3-chlorophenyl)methyl]butanamide
SMILESO=C(CCCOc1cccc(Br)c1)NCc1cccc(Cl)c1
InChIInChI=1S/C17H17BrClNO2/c18-14-5-2-7-16(11-14)22-9-3-8-17(21)20-12-13-4-1-6-15(19)10-13/h1-2,4-7,10-11H,3,8-9,12H2,(H,20,21)
InChIKeyNDZSVMNDJJQBLV-UHFFFAOYSA-N
MW382.69 g/mol
LogP4.58
Rot. Bonds7

About 4-(3-bromophenoxy)-N-[(3-chlorophenyl)methyl]butanamide

4-(3-bromophenoxy)-N-[(3-chlorophenyl)methyl]butanamide (PubChem CID 7959313) has the molecular formula C17H17BrClNO2 and a molecular weight of 382.69 g/mol. Its IUPAC name is 4-(3-bromophenoxy)-N-[(3-chlorophenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(3-bromophenoxy)-N-[(3-chlorophenyl)methyl]butanamide
PubChem CID7959313
Molecular FormulaC17H17BrClNO2
Molecular Weight382.69 g/mol
Exact Mass381.01
IUPAC Name4-(3-bromophenoxy)-N-[(3-chlorophenyl)methyl]butanamide
SMILESO=C(CCCOc1cccc(Br)c1)NCc1cccc(Cl)c1
InChIInChI=1S/C17H17BrClNO2/c18-14-5-2-7-16(11-14)22-9-3-8-17(21)20-12-13-4-1-6-15(19)10-13/h1-2,4-7,10-11H,3,8-9,12H2,(H,20,21)
InChIKeyNDZSVMNDJJQBLV-UHFFFAOYSA-N
XLogP4.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.69
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-bromophenoxy)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide
CID 55690199
4-chloro-N-[(3-chlorophenyl)methyl]butanamide
CID 17071148
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
[2-(benzylamino)-2-oxoethyl] 4-(3-bromophenoxy)butanoate
CID 7212135
4-(3-bromophenoxy)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]butanamide
CID 51132965
3-(3-bromophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 51155626
2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 17071181
3-bromo-N-[(3-chlorophenyl)methyl]propanamide
CID 82109966
N-[(3-bromophenyl)methyl]-3-(3,4-dimethylphenoxy)propanamide
CID 52570793
N-[2-(3-bromophenoxy)ethyl]butanamide
CID 113099626
N-[2-(4-aminophenyl)ethyl]-4-(3-bromophenoxy)butanamide
CID 119548665
N-[(3-bromophenyl)methyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55596350

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)-N-[(3-chlorophenyl)methyl]butanamide?
The IUPAC name of 4-(3-bromophenoxy)-N-[(3-chlorophenyl)methyl]butanamide (CID 7959313) is 4-(3-bromophenoxy)-N-[(3-chlorophenyl)methyl]butanamide.
What is the SMILES notation for 4-(3-bromophenoxy)-N-[(3-chlorophenyl)methyl]butanamide?
The canonical SMILES for 4-(3-bromophenoxy)-N-[(3-chlorophenyl)methyl]butanamide is O=C(CCCOc1cccc(Br)c1)NCc1cccc(Cl)c1.
What is the InChIKey of 4-(3-bromophenoxy)-N-[(3-chlorophenyl)methyl]butanamide?
The InChIKey is NDZSVMNDJJQBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO2/c18-14-5-2-7-16(11-14)22-9-3-8-17(21)20-12-13-4-1-6-15(19)10-13/h1-2,4-7,10-11H,3,8-9,12H2,(H,20,21).
What are the key properties of 4-(3-bromophenoxy)-N-[(3-chlorophenyl)methyl]butanamide?
4-(3-bromophenoxy)-N-[(3-chlorophenyl)methyl]butanamide has a molecular weight of 382.69 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)-N-[(3-chlorophenyl)methyl]butanamide is sourced from PubChem (CID 7959313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).