(2R)-2-(4-bromoanilino)-N-[(2-methoxyphenyl)methyl]propanamide

C17H19BrN2O2 — CID 9273864

IUPAC(2R)-2-(4-bromoanilino)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)[C@@H](C)Nc1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O2/c1-12(20-15-9-7-14(18)8-10-15)17(21)19-11-13-5-3-4-6-16(13)22-2/h3-10,12,20H,11H2,1-2H3,(H,19,21)/t12-/m1/s1
InChIKeyJCDNTQXWESTTOG-GFCCVEGCSA-N
MW363.26 g/mol
LogP3.57
Rot. Bonds6

About (2R)-2-(4-bromoanilino)-N-[(2-methoxyphenyl)methyl]propanamide

(2R)-2-(4-bromoanilino)-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 9273864) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.26 g/mol. Its IUPAC name is (2R)-2-(4-bromoanilino)-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromoanilino)-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID9273864
Molecular FormulaC17H19BrN2O2
Molecular Weight363.26 g/mol
Exact Mass362.06
IUPAC Name(2R)-2-(4-bromoanilino)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)[C@@H](C)Nc1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O2/c1-12(20-15-9-7-14(18)8-10-15)17(21)19-11-13-5-3-4-6-16(13)22-2/h3-10,12,20H,11H2,1-2H3,(H,19,21)/t12-/m1/s1
InChIKeyJCDNTQXWESTTOG-GFCCVEGCSA-N
XLogP3.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-(2-methoxyphenyl)acetamide
CID 2263112
(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
CID 9291152
N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18159105
(2S)-2-(benzhydrylamino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9445893
(2R)-2-[4-(2-methoxyanilino)anilino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 7777360
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
2-(4-bromoanilino)-N-prop-2-enylpropanamide
CID 43086744
N-(4-bromophenyl)-2-(3,4-dimethoxyanilino)propanamide
CID 78670435
N-[(2-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 2175728
5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62953516
2-[4-(2-methoxyphenoxy)anilino]-N-pentylpropanamide
CID 134039373
(2S)-N-[(2-methoxyphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 9270227

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromoanilino)-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-(4-bromoanilino)-N-[(2-methoxyphenyl)methyl]propanamide (CID 9273864) is (2R)-2-(4-bromoanilino)-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(4-bromoanilino)-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-(4-bromoanilino)-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)[C@@H](C)Nc1ccc(Br)cc1.
What is the InChIKey of (2R)-2-(4-bromoanilino)-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is JCDNTQXWESTTOG-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-12(20-15-9-7-14(18)8-10-15)17(21)19-11-13-5-3-4-6-16(13)22-2/h3-10,12,20H,11H2,1-2H3,(H,19,21)/t12-/m1/s1.
What are the key properties of (2R)-2-(4-bromoanilino)-N-[(2-methoxyphenyl)methyl]propanamide?
(2R)-2-(4-bromoanilino)-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 363.26 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromoanilino)-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 9273864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).