5-amino-2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

C19H17ClN2O — CID 156907262

IUPAC5-amino-2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1cc(N)ccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C19H17ClN2O/c1-12(15-8-4-6-13-5-2-3-7-16(13)15)22-19(23)17-11-14(21)9-10-18(17)20/h2-12H,21H2,1H3,(H,22,23)/t12-/m1/s1
InChIKeyJQPHUCBOZVRIOW-GFCCVEGCSA-N
MW324.81 g/mol
LogP4.57
Rot. Bonds3

About 5-amino-2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

5-amino-2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (PubChem CID 156907262) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
PubChem CID156907262
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name5-amino-2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1cc(N)ccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C19H17ClN2O/c1-12(15-8-4-6-13-5-2-3-7-16(13)15)22-19(23)17-11-14(21)9-10-18(17)20/h2-12H,21H2,1H3,(H,22,23)/t12-/m1/s1
InChIKeyJQPHUCBOZVRIOW-GFCCVEGCSA-N
XLogP4.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Grl-0617
CID 24941262
Benzamide, N-(1-naphthyl)-2-chloro-
CID 531848
5-(acetylamino)-2-methyl-N-[(1R)-1-(1-naphthalenyl)ethyl]benzamide
CID 44235889
1-(2-Naphthoyl)-N-(3-chlorophenyl)piperidine-4-carboxamide
CID 154699440
3-[(4-chlorobenzoyl)amino]-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
CID 155664124
5-Amino-2-chloro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide
CID 22731487
Naphthalene-1-carboxylic acid [(S)-2-(4-chloro-phenyl)-1-((S)-1-phenylcarbamoyl-ethylcarbamoyl)-ethyl]-amide
CID 9957612
N-[4-Chloro-2-[[(cyclohexylmethyl)amino]carbonyl]phenyl]-1-naphthalenecarboxamide
CID 11611505
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
CID 19608536
4-(2-chlorophenyl)-N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide
CID 21062990
N-{(S)-2-(4-Chloro-phenyl)-1-[(S)-1-(4-chloro-phenylcarbamoyl)-ethylcarbamoyl]-ethyl}-2,4-dimethyl-benzamide
CID 44281852
2-chloro-5-[[1-(3-isopropenylphenyl)-1-methyl-ethyl]carbamoylamino]-N-methyl-benzamide
CID 71453701

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The IUPAC name of 5-amino-2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (CID 156907262) is 5-amino-2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The canonical SMILES for 5-amino-2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is C[C@@H](NC(=O)c1cc(N)ccc1Cl)c1cccc2ccccc12.
What is the InChIKey of 5-amino-2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The InChIKey is JQPHUCBOZVRIOW-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17ClN2O/c1-12(15-8-4-6-13-5-2-3-7-16(13)15)22-19(23)17-11-14(21)9-10-18(17)20/h2-12H,21H2,1H3,(H,22,23)/t12-/m1/s1.
What are the key properties of 5-amino-2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
5-amino-2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]benzamide has a molecular weight of 324.81 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is sourced from PubChem (CID 156907262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).