N-(2-amino-5-chlorophenyl)-3-hydroxy-N-methylbenzamide

C14H13ClN2O2 — CID 107465613

IUPACN-(2-amino-5-chlorophenyl)-3-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1cccc(O)c1)c1cc(Cl)ccc1N
InChIInChI=1S/C14H13ClN2O2/c1-17(13-8-10(15)5-6-12(13)16)14(19)9-3-2-4-11(18)7-9/h2-8,18H,16H2,1H3
InChIKeyBTYDXBSUPROBEE-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.90
Rot. Bonds2

About N-(2-amino-5-chlorophenyl)-3-hydroxy-N-methylbenzamide

N-(2-amino-5-chlorophenyl)-3-hydroxy-N-methylbenzamide (PubChem CID 107465613) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-3-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-3-hydroxy-N-methylbenzamide
PubChem CID107465613
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC NameN-(2-amino-5-chlorophenyl)-3-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1cccc(O)c1)c1cc(Cl)ccc1N
InChIInChI=1S/C14H13ClN2O2/c1-17(13-8-10(15)5-6-12(13)16)14(19)9-3-2-4-11(18)7-9/h2-8,18H,16H2,1H3
InChIKeyBTYDXBSUPROBEE-UHFFFAOYSA-N
XLogP2.90
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.90
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

N-(2-amino-5-chlorophenyl)-N-methylbenzamide
CID 107465675
N-(2-amino-5-chlorophenyl)-N,3,5-trimethylbenzamide
CID 107465748
N-(2-amino-5-chlorophenyl)-2-hydroxy-N,3-dimethylbenzamide
CID 107465659
N-(2-amino-5-chlorophenyl)-N-methylacetamide
CID 107465702
N-(2-amino-5-chlorophenyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 107465720
N-(2-amino-5-chlorophenyl)-4-fluoro-2-hydroxy-N-methylbenzamide
CID 107465812
3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739062
N-(2-amino-5-chlorophenyl)-2,3,4-trifluoro-N-methylbenzamide
CID 107465510
N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylbenzamide
CID 107465525
N-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide
CID 107465612
1-(2-amino-5-chlorophenyl)-3-(3-chlorophenyl)-1-methylurea
CID 107465973
1-(2-amino-5-chlorophenyl)-3-tert-butyl-1-methylurea
CID 107465986

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-3-hydroxy-N-methylbenzamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-3-hydroxy-N-methylbenzamide (CID 107465613) is N-(2-amino-5-chlorophenyl)-3-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-3-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-3-hydroxy-N-methylbenzamide is CN(C(=O)c1cccc(O)c1)c1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-3-hydroxy-N-methylbenzamide?
The InChIKey is BTYDXBSUPROBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-17(13-8-10(15)5-6-12(13)16)14(19)9-3-2-4-11(18)7-9/h2-8,18H,16H2,1H3.
What are the key properties of N-(2-amino-5-chlorophenyl)-3-hydroxy-N-methylbenzamide?
N-(2-amino-5-chlorophenyl)-3-hydroxy-N-methylbenzamide has a molecular weight of 276.72 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-3-hydroxy-N-methylbenzamide is sourced from PubChem (CID 107465613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).