2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

C18H20BrClN2O2 — CID 40987640

IUPAC2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CN[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C18H20BrClN2O2/c1-11-8-16(17(24-3)9-15(11)20)22-18(23)10-21-12(2)13-4-6-14(19)7-5-13/h4-9,12,21H,10H2,1-3H3,(H,22,23)/t12-/m1/s1
InChIKeyGLMMPQCWGOTTIR-GFCCVEGCSA-N
MW411.73 g/mol
LogP4.71
Rot. Bonds6

About 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide (PubChem CID 40987640) has the molecular formula C18H20BrClN2O2 and a molecular weight of 411.73 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
PubChem CID40987640
Molecular FormulaC18H20BrClN2O2
Molecular Weight411.73 g/mol
Exact Mass410.04
IUPAC Name2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CN[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C18H20BrClN2O2/c1-11-8-16(17(24-3)9-15(11)20)22-18(23)10-21-12(2)13-4-6-14(19)7-5-13/h4-9,12,21H,10H2,1-3H3,(H,22,23)/t12-/m1/s1
InChIKeyGLMMPQCWGOTTIR-GFCCVEGCSA-N
XLogP4.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.73
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 41023049
3-(4-bromoanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 109039271
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 112801580
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
(2R)-2-(4-bromophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 7376119
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 84897745
N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide
CID 4262485
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 107902832
N-(4-bromo-2-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532468
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 26540797
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea
CID 108988820

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide (CID 40987640) is 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide is COc1cc(Cl)c(C)cc1NC(=O)CN[C@H](C)c1ccc(Br)cc1.
What is the InChIKey of 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The InChIKey is GLMMPQCWGOTTIR-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20BrClN2O2/c1-11-8-16(17(24-3)9-15(11)20)22-18(23)10-21-12(2)13-4-6-14(19)7-5-13/h4-9,12,21H,10H2,1-3H3,(H,22,23)/t12-/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide has a molecular weight of 411.73 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 40987640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).