N-[3-[(2-bromophenyl)methylamino]-4-chlorophenyl]propanamide

C16H16BrClN2O — CID 43679084

IUPACN-[3-[(2-bromophenyl)methylamino]-4-chlorophenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NCc2ccccc2Br)c1
InChIInChI=1S/C16H16BrClN2O/c1-2-16(21)20-12-7-8-14(18)15(9-12)19-10-11-5-3-4-6-13(11)17/h3-9,19H,2,10H2,1H3,(H,20,21)
InChIKeyZGKRMGMYXVYLAO-UHFFFAOYSA-N
MW367.67 g/mol
LogP5.06
Rot. Bonds5

About N-[3-[(2-bromophenyl)methylamino]-4-chlorophenyl]propanamide

N-[3-[(2-bromophenyl)methylamino]-4-chlorophenyl]propanamide (PubChem CID 43679084) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is N-[3-[(2-bromophenyl)methylamino]-4-chlorophenyl]propanamide.

Molecular Properties

Compound NameN-[3-[(2-bromophenyl)methylamino]-4-chlorophenyl]propanamide
PubChem CID43679084
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC NameN-[3-[(2-bromophenyl)methylamino]-4-chlorophenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NCc2ccccc2Br)c1
InChIInChI=1S/C16H16BrClN2O/c1-2-16(21)20-12-7-8-14(18)15(9-12)19-10-11-5-3-4-6-13(11)17/h3-9,19H,2,10H2,1H3,(H,20,21)
InChIKeyZGKRMGMYXVYLAO-UHFFFAOYSA-N
XLogP5.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.67
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(2-bromophenyl)methylamino]-4-methylphenyl]propanamide
CID 43677290
N-[3-[(2-chlorophenyl)methylamino]-4-methylphenyl]propanamide
CID 43677249
N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]propanamide
CID 106885136
N-[4-chloro-3-(pyridin-2-ylmethylamino)phenyl]propanamide
CID 43679078
N-[4-chloro-3-[(4-hydroxyphenyl)methylamino]phenyl]propanamide
CID 43679042
N-[3-[(2-hydroxyphenyl)methylamino]-4-methylphenyl]propanamide
CID 43677282
N-[4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide
CID 79420664
N-[4-chloro-3-(prop-2-ynylamino)phenyl]propanamide
CID 63952872
N-[3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-4-chlorophenyl]butanamide
CID 54831415
3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
CID 43701444
N-[5-[(2-bromophenyl)methylamino]-2-methylphenyl]acetamide
CID 43735923
2-(2-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 112998185

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-bromophenyl)methylamino]-4-chlorophenyl]propanamide?
The IUPAC name of N-[3-[(2-bromophenyl)methylamino]-4-chlorophenyl]propanamide (CID 43679084) is N-[3-[(2-bromophenyl)methylamino]-4-chlorophenyl]propanamide.
What is the SMILES notation for N-[3-[(2-bromophenyl)methylamino]-4-chlorophenyl]propanamide?
The canonical SMILES for N-[3-[(2-bromophenyl)methylamino]-4-chlorophenyl]propanamide is CCC(=O)Nc1ccc(Cl)c(NCc2ccccc2Br)c1.
What is the InChIKey of N-[3-[(2-bromophenyl)methylamino]-4-chlorophenyl]propanamide?
The InChIKey is ZGKRMGMYXVYLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c1-2-16(21)20-12-7-8-14(18)15(9-12)19-10-11-5-3-4-6-13(11)17/h3-9,19H,2,10H2,1H3,(H,20,21).
What are the key properties of N-[3-[(2-bromophenyl)methylamino]-4-chlorophenyl]propanamide?
N-[3-[(2-bromophenyl)methylamino]-4-chlorophenyl]propanamide has a molecular weight of 367.67 g/mol, XLogP of 5.06, 5 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]-4-chlorophenyl]propanamide is sourced from PubChem (CID 43679084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).