4-amino-2-chloro-N-[2-[(1R)-1-phenylethoxy]ethyl]benzamide

C17H19ClN2O2 — CID 156874708

IUPAC4-amino-2-chloro-N-[2-[(1R)-1-phenylethoxy]ethyl]benzamide
SMILESC[C@@H](OCCNC(=O)c1ccc(N)cc1Cl)c1ccccc1
InChIInChI=1S/C17H19ClN2O2/c1-12(13-5-3-2-4-6-13)22-10-9-20-17(21)15-8-7-14(19)11-16(15)18/h2-8,11-12H,9-10,19H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyVDAJDTZHCBLMKS-GFCCVEGCSA-N
MW318.80 g/mol
LogP3.43
Rot. Bonds6

About 4-amino-2-chloro-N-[2-[(1R)-1-phenylethoxy]ethyl]benzamide

4-amino-2-chloro-N-[2-[(1R)-1-phenylethoxy]ethyl]benzamide (PubChem CID 156874708) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[2-[(1R)-1-phenylethoxy]ethyl]benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[2-[(1R)-1-phenylethoxy]ethyl]benzamide
PubChem CID156874708
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name4-amino-2-chloro-N-[2-[(1R)-1-phenylethoxy]ethyl]benzamide
SMILESC[C@@H](OCCNC(=O)c1ccc(N)cc1Cl)c1ccccc1
InChIInChI=1S/C17H19ClN2O2/c1-12(13-5-3-2-4-6-13)22-10-9-20-17(21)15-8-7-14(19)11-16(15)18/h2-8,11-12H,9-10,19H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyVDAJDTZHCBLMKS-GFCCVEGCSA-N
XLogP3.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 115738491
2,3-dichloro-N-[3-(1-phenylethoxy)propyl]benzamide
CID 75866116
4-amino-2-chloro-N-(3-methylsulfanylbutyl)benzamide
CID 115739020
4-amino-2-chloro-N-(3-hydroxypropyl)benzamide
CID 43167675
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119950265
2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide
CID 55483787
4-amino-2-chloro-N-(2-ethylbutyl)benzamide
CID 115738201
4-amino-2-chloro-N-[2-(dimethylamino)propyl]benzamide;dihydrochloride
CID 119861815
4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951477
2,5-dimethyl-N-[3-(1-phenylethoxy)propyl]furan-3-carboxamide
CID 24678092
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-chloro-N-propylbenzamide;hydrochloride
CID 119747993

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[2-[(1R)-1-phenylethoxy]ethyl]benzamide?
The IUPAC name of 4-amino-2-chloro-N-[2-[(1R)-1-phenylethoxy]ethyl]benzamide (CID 156874708) is 4-amino-2-chloro-N-[2-[(1R)-1-phenylethoxy]ethyl]benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-[2-[(1R)-1-phenylethoxy]ethyl]benzamide?
The canonical SMILES for 4-amino-2-chloro-N-[2-[(1R)-1-phenylethoxy]ethyl]benzamide is C[C@@H](OCCNC(=O)c1ccc(N)cc1Cl)c1ccccc1.
What is the InChIKey of 4-amino-2-chloro-N-[2-[(1R)-1-phenylethoxy]ethyl]benzamide?
The InChIKey is VDAJDTZHCBLMKS-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-12(13-5-3-2-4-6-13)22-10-9-20-17(21)15-8-7-14(19)11-16(15)18/h2-8,11-12H,9-10,19H2,1H3,(H,20,21)/t12-/m1/s1.
What are the key properties of 4-amino-2-chloro-N-[2-[(1R)-1-phenylethoxy]ethyl]benzamide?
4-amino-2-chloro-N-[2-[(1R)-1-phenylethoxy]ethyl]benzamide has a molecular weight of 318.80 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-[2-[(1R)-1-phenylethoxy]ethyl]benzamide is sourced from PubChem (CID 156874708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).