N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-chloro-5-methylbenzamide

C16H17ClN2O2 — CID 81314836

IUPACN-[2-(4-aminophenyl)-2-hydroxyethyl]-3-chloro-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NCC(O)c2ccc(N)cc2)c1
InChIInChI=1S/C16H17ClN2O2/c1-10-6-12(8-13(17)7-10)16(21)19-9-15(20)11-2-4-14(18)5-3-11/h2-8,15,20H,9,18H2,1H3,(H,19,21)
InChIKeyGNTRMBCRMMEGTQ-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.69
Rot. Bonds4

About N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-chloro-5-methylbenzamide

N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-chloro-5-methylbenzamide (PubChem CID 81314836) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-chloro-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)-2-hydroxyethyl]-3-chloro-5-methylbenzamide
PubChem CID81314836
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-[2-(4-aminophenyl)-2-hydroxyethyl]-3-chloro-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NCC(O)c2ccc(N)cc2)c1
InChIInChI=1S/C16H17ClN2O2/c1-10-6-12(8-13(17)7-10)16(21)19-9-15(20)11-2-4-14(18)5-3-11/h2-8,15,20H,9,18H2,1H3,(H,19,21)
InChIKeyGNTRMBCRMMEGTQ-UHFFFAOYSA-N
XLogP2.69
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,5-dimethylbenzamide
CID 90581411
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide
CID 111578607
3-chloro-N-(2-chloropropyl)-5-methylbenzamide
CID 114296400
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,4-difluorobenzamide
CID 43461442
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-fluoro-4-methylbenzamide
CID 43461480
N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-chloro-2-hydroxybenzamide
CID 43461425
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-5-methylbenzamide
CID 81323274
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 42947632
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide
CID 47022575
N-[2-(4-aminophenyl)-2-hydroxyethyl]acetamide
CID 43461402
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide
CID 43461466

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-chloro-5-methylbenzamide?
The IUPAC name of N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-chloro-5-methylbenzamide (CID 81314836) is N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-chloro-5-methylbenzamide.
What is the SMILES notation for N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-chloro-5-methylbenzamide?
The canonical SMILES for N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-chloro-5-methylbenzamide is Cc1cc(Cl)cc(C(=O)NCC(O)c2ccc(N)cc2)c1.
What is the InChIKey of N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-chloro-5-methylbenzamide?
The InChIKey is GNTRMBCRMMEGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10-6-12(8-13(17)7-10)16(21)19-9-15(20)11-2-4-14(18)5-3-11/h2-8,15,20H,9,18H2,1H3,(H,19,21).
What are the key properties of N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-chloro-5-methylbenzamide?
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-chloro-5-methylbenzamide has a molecular weight of 304.78 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-chloro-5-methylbenzamide is sourced from PubChem (CID 81314836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).