(2S)-2-amino-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide

C16H17ClN2O2 — CID 22690589

IUPAC(2S)-2-amino-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide
SMILESC[C@H](N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClN2O2/c1-11(18)16(20)19-14-6-8-15(9-7-14)21-10-12-2-4-13(17)5-3-12/h2-9,11H,10,18H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyDQSRQLHJWAIMGE-NSHDSACASA-N
MW304.78 g/mol
LogP3.20
Rot. Bonds5

About (2S)-2-amino-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide

(2S)-2-amino-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide (PubChem CID 22690589) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide
PubChem CID22690589
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name(2S)-2-amino-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide
SMILESC[C@H](N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClN2O2/c1-11(18)16(20)19-14-6-8-15(9-7-14)21-10-12-2-4-13(17)5-3-12/h2-9,11H,10,18H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyDQSRQLHJWAIMGE-NSHDSACASA-N
XLogP3.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(4-chlorophenyl)propanamide
CID 7183165
(2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 9233741
N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylpropyl)propanediamide
CID 108941716
N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(propan-2-ylamino)propanamide
CID 109011723
2-amino-N-(4-propoxyphenyl)propanamide
CID 62327124
N'-tert-butyl-N-[4-[(4-chlorophenyl)methoxy]phenyl]oxamide
CID 108986374
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea
CID 108987803
[4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl N-methylcarbamate
CID 166675608
[4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl formate
CID 155030194
(2S)-2-(2,5-dichlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7185213
(2R)-2-amino-N-[4-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride
CID 119338172
methyl 2-[4-[[(2R)-2-aminopropanoyl]amino]phenoxy]acetate;hydrochloride
CID 119283548

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide (CID 22690589) is (2S)-2-amino-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide is C[C@H](N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide?
The InChIKey is DQSRQLHJWAIMGE-NSHDSACASA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11(18)16(20)19-14-6-8-15(9-7-14)21-10-12-2-4-13(17)5-3-12/h2-9,11H,10,18H2,1H3,(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide?
(2S)-2-amino-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide has a molecular weight of 304.78 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide is sourced from PubChem (CID 22690589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).