(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(cyanomethyl)anilino]propanamide

C19H20ClN3O2 — CID 41022398

IUPAC(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(cyanomethyl)anilino]propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Nc1ccc(CC#N)cc1
InChIInChI=1S/C19H20ClN3O2/c1-12-10-17(18(25-3)11-16(12)20)23-19(24)13(2)22-15-6-4-14(5-7-15)8-9-21/h4-7,10-11,13,22H,8H2,1-3H3,(H,23,24)/t13-/m1/s1
InChIKeyRXYUKOFVWCFAJH-CYBMUJFWSA-N
MW357.84 g/mol
LogP4.16
Rot. Bonds6

About (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(cyanomethyl)anilino]propanamide

(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(cyanomethyl)anilino]propanamide (PubChem CID 41022398) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(cyanomethyl)anilino]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(cyanomethyl)anilino]propanamide
PubChem CID41022398
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(cyanomethyl)anilino]propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Nc1ccc(CC#N)cc1
InChIInChI=1S/C19H20ClN3O2/c1-12-10-17(18(25-3)11-16(12)20)23-19(24)13(2)22-15-6-4-14(5-7-15)8-9-21/h4-7,10-11,13,22H,8H2,1-3H3,(H,23,24)/t13-/m1/s1
InChIKeyRXYUKOFVWCFAJH-CYBMUJFWSA-N
XLogP4.16
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(cyanomethyl)anilino]-N-(3,4-dimethylphenyl)propanamide
CID 86919171
N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-[3-(cyanomethyl)phenyl]-3-oxopropanamide
CID 167875053
(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25344260
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25341128
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-ethylphenyl)urea
CID 108991505
(2R)-2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 41192472
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 107902832
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide
CID 7928705
2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)propanamide
CID 42912800
(2R)-2-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 2471713
[(2R)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)acetate
CID 9061446
N-(2,5-dimethoxyphenyl)-2-(4-ethylanilino)propanamide
CID 51178496

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(cyanomethyl)anilino]propanamide?
The IUPAC name of (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(cyanomethyl)anilino]propanamide (CID 41022398) is (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(cyanomethyl)anilino]propanamide.
What is the SMILES notation for (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(cyanomethyl)anilino]propanamide?
The canonical SMILES for (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(cyanomethyl)anilino]propanamide is COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Nc1ccc(CC#N)cc1.
What is the InChIKey of (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(cyanomethyl)anilino]propanamide?
The InChIKey is RXYUKOFVWCFAJH-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-12-10-17(18(25-3)11-16(12)20)23-19(24)13(2)22-15-6-4-14(5-7-15)8-9-21/h4-7,10-11,13,22H,8H2,1-3H3,(H,23,24)/t13-/m1/s1.
What are the key properties of (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(cyanomethyl)anilino]propanamide?
(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(cyanomethyl)anilino]propanamide has a molecular weight of 357.84 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(cyanomethyl)anilino]propanamide is sourced from PubChem (CID 41022398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).