N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide

C17H18BrClN2O — CID 9307050

IUPACN-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
SMILESCc1ccc(NC(=O)CN[C@H](C)c2ccccc2Cl)c(Br)c1
InChIInChI=1S/C17H18BrClN2O/c1-11-7-8-16(14(18)9-11)21-17(22)10-20-12(2)13-5-3-4-6-15(13)19/h3-9,12,20H,10H2,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeyPWTLELRDPBBTDC-GFCCVEGCSA-N
MW381.70 g/mol
LogP4.70
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide

N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide (PubChem CID 9307050) has the molecular formula C17H18BrClN2O and a molecular weight of 381.70 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
PubChem CID9307050
Molecular FormulaC17H18BrClN2O
Molecular Weight381.70 g/mol
Exact Mass380.03
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
SMILESCc1ccc(NC(=O)CN[C@H](C)c2ccccc2Cl)c(Br)c1
InChIInChI=1S/C17H18BrClN2O/c1-11-7-8-16(14(18)9-11)21-17(22)10-20-12(2)13-5-3-4-6-15(13)19/h3-9,12,20H,10H2,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeyPWTLELRDPBBTDC-GFCCVEGCSA-N
XLogP4.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.70
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9307279
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 9306757
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 9306788
N-(2-bromophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9254240
N-(5-chloro-2-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306731
N-(5-chloro-2-fluorophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306583
N-(2-bromo-4-methylphenyl)-2-(2,6-dichlorophenyl)acetamide
CID 2707551
N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8918532
2-[1-(2-chlorophenyl)ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 18085946
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 32704244
N-[2-[(2R)-butan-2-yl]phenyl]-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9307010
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-bromo-4-methylphenyl)acetamide
CID 112801581

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide (CID 9307050) is N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide is Cc1ccc(NC(=O)CN[C@H](C)c2ccccc2Cl)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide?
The InChIKey is PWTLELRDPBBTDC-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18BrClN2O/c1-11-7-8-16(14(18)9-11)21-17(22)10-20-12(2)13-5-3-4-6-15(13)19/h3-9,12,20H,10H2,1-2H3,(H,21,22)/t12-/m1/s1.
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide?
N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide has a molecular weight of 381.70 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 9307050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).