N-[3-[(2-bromophenyl)methylamino]phenyl]butanamide

C17H19BrN2O — CID 51003693

IUPACN-[3-[(2-bromophenyl)methylamino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NCc2ccccc2Br)c1
InChIInChI=1S/C17H19BrN2O/c1-2-6-17(21)20-15-9-5-8-14(11-15)19-12-13-7-3-4-10-16(13)18/h3-5,7-11,19H,2,6,12H2,1H3,(H,20,21)
InChIKeyCJZXDTYDWGBOGT-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.80
Rot. Bonds6

About N-[3-[(2-bromophenyl)methylamino]phenyl]butanamide

N-[3-[(2-bromophenyl)methylamino]phenyl]butanamide (PubChem CID 51003693) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-[3-[(2-bromophenyl)methylamino]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[(2-bromophenyl)methylamino]phenyl]butanamide
PubChem CID51003693
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-[3-[(2-bromophenyl)methylamino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NCc2ccccc2Br)c1
InChIInChI=1S/C17H19BrN2O/c1-2-6-17(21)20-15-9-5-8-14(11-15)19-12-13-7-3-4-10-16(13)18/h3-5,7-11,19H,2,6,12H2,1H3,(H,20,21)
InChIKeyCJZXDTYDWGBOGT-UHFFFAOYSA-N
XLogP4.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-bromophenyl)methylamino]phenyl]butanamide?
The IUPAC name of N-[3-[(2-bromophenyl)methylamino]phenyl]butanamide (CID 51003693) is N-[3-[(2-bromophenyl)methylamino]phenyl]butanamide.
What is the SMILES notation for N-[3-[(2-bromophenyl)methylamino]phenyl]butanamide?
The canonical SMILES for N-[3-[(2-bromophenyl)methylamino]phenyl]butanamide is CCCC(=O)Nc1cccc(NCc2ccccc2Br)c1.
What is the InChIKey of N-[3-[(2-bromophenyl)methylamino]phenyl]butanamide?
The InChIKey is CJZXDTYDWGBOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-2-6-17(21)20-15-9-5-8-14(11-15)19-12-13-7-3-4-10-16(13)18/h3-5,7-11,19H,2,6,12H2,1H3,(H,20,21).
What are the key properties of N-[3-[(2-bromophenyl)methylamino]phenyl]butanamide?
N-[3-[(2-bromophenyl)methylamino]phenyl]butanamide has a molecular weight of 347.26 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-bromophenyl)methylamino]phenyl]butanamide is sourced from PubChem (CID 51003693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).