N-[(3-aminophenyl)methyl]-2-chloro-N-ethyl-5-hydroxybenzamide

C16H17ClN2O2 — CID 106500076

IUPACN-[(3-aminophenyl)methyl]-2-chloro-N-ethyl-5-hydroxybenzamide
SMILESCCN(Cc1cccc(N)c1)C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-2-19(10-11-4-3-5-12(18)8-11)16(21)14-9-13(20)6-7-15(14)17/h3-9,20H,2,10,18H2,1H3
InChIKeyQMDLKICRWAKJRF-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.29
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-2-chloro-N-ethyl-5-hydroxybenzamide

N-[(3-aminophenyl)methyl]-2-chloro-N-ethyl-5-hydroxybenzamide (PubChem CID 106500076) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-2-chloro-N-ethyl-5-hydroxybenzamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-2-chloro-N-ethyl-5-hydroxybenzamide
PubChem CID106500076
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-[(3-aminophenyl)methyl]-2-chloro-N-ethyl-5-hydroxybenzamide
SMILESCCN(Cc1cccc(N)c1)C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-2-19(10-11-4-3-5-12(18)8-11)16(21)14-9-13(20)6-7-15(14)17/h3-9,20H,2,10,18H2,1H3
InChIKeyQMDLKICRWAKJRF-UHFFFAOYSA-N
XLogP3.29
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-5-hydroxybenzamide
CID 107074471
N-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide
CID 43459006
4-amino-N-benzyl-2-chloro-N-ethylbenzamide
CID 28748815
N-[(3-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide
CID 43458950
2,4-diamino-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide
CID 61105036
N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 43459023
N-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide
CID 43458930
N-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721381
N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluorobenzamide
CID 43458961
N-[(3-aminophenyl)methyl]-N-ethyl-3-fluoropyridine-4-carboxamide
CID 64948867
N-[(3-aminophenyl)methyl]-3-chloro-N-ethyl-4-methylthiophene-2-carboxamide
CID 103399805
N-[(3-aminophenyl)methyl]-2-hydroxy-N-propylbenzamide
CID 43459683

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-2-chloro-N-ethyl-5-hydroxybenzamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-2-chloro-N-ethyl-5-hydroxybenzamide (CID 106500076) is N-[(3-aminophenyl)methyl]-2-chloro-N-ethyl-5-hydroxybenzamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-2-chloro-N-ethyl-5-hydroxybenzamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-2-chloro-N-ethyl-5-hydroxybenzamide is CCN(Cc1cccc(N)c1)C(=O)c1cc(O)ccc1Cl.
What is the InChIKey of N-[(3-aminophenyl)methyl]-2-chloro-N-ethyl-5-hydroxybenzamide?
The InChIKey is QMDLKICRWAKJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-19(10-11-4-3-5-12(18)8-11)16(21)14-9-13(20)6-7-15(14)17/h3-9,20H,2,10,18H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-2-chloro-N-ethyl-5-hydroxybenzamide?
N-[(3-aminophenyl)methyl]-2-chloro-N-ethyl-5-hydroxybenzamide has a molecular weight of 304.78 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-2-chloro-N-ethyl-5-hydroxybenzamide is sourced from PubChem (CID 106500076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).