4-amino-N-benzyl-2-chloro-N-(2-hydroxyethyl)benzamide

C16H17ClN2O2 — CID 61107477

IUPAC4-amino-N-benzyl-2-chloro-N-(2-hydroxyethyl)benzamide
SMILESNc1ccc(C(=O)N(CCO)Cc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O2/c17-15-10-13(18)6-7-14(15)16(21)19(8-9-20)11-12-4-2-1-3-5-12/h1-7,10,20H,8-9,11,18H2
InChIKeyIAEUWDWLFZFELJ-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.56
Rot. Bonds5

About 4-amino-N-benzyl-2-chloro-N-(2-hydroxyethyl)benzamide

4-amino-N-benzyl-2-chloro-N-(2-hydroxyethyl)benzamide (PubChem CID 61107477) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-amino-N-benzyl-2-chloro-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-benzyl-2-chloro-N-(2-hydroxyethyl)benzamide
PubChem CID61107477
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name4-amino-N-benzyl-2-chloro-N-(2-hydroxyethyl)benzamide
SMILESNc1ccc(C(=O)N(CCO)Cc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O2/c17-15-10-13(18)6-7-14(15)16(21)19(8-9-20)11-12-4-2-1-3-5-12/h1-7,10,20H,8-9,11,18H2
InChIKeyIAEUWDWLFZFELJ-UHFFFAOYSA-N
XLogP2.56
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.56
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

4-amino-N-benzyl-2-chloro-N-ethylbenzamide
CID 28748815
N-benzyl-2-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103766995
N-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide
CID 104859477
N-benzyl-2,4-dibromo-N-(2-hydroxyethyl)benzamide
CID 103882425
N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide
CID 28642307
5-amino-N-benzyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 81317200
N-benzyl-2-chloro-N-(2-chloroethyl)-4-fluorobenzamide
CID 63390884
N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide
CID 3290123
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
4-amino-N,N-bis(2-amino-2-oxoethyl)-2-chlorobenzamide
CID 62921855
N-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103844027
N-benzyl-N-(2-hydroxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107027966

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-2-chloro-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-amino-N-benzyl-2-chloro-N-(2-hydroxyethyl)benzamide (CID 61107477) is 4-amino-N-benzyl-2-chloro-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-amino-N-benzyl-2-chloro-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-amino-N-benzyl-2-chloro-N-(2-hydroxyethyl)benzamide is Nc1ccc(C(=O)N(CCO)Cc2ccccc2)c(Cl)c1.
What is the InChIKey of 4-amino-N-benzyl-2-chloro-N-(2-hydroxyethyl)benzamide?
The InChIKey is IAEUWDWLFZFELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-15-10-13(18)6-7-14(15)16(21)19(8-9-20)11-12-4-2-1-3-5-12/h1-7,10,20H,8-9,11,18H2.
What are the key properties of 4-amino-N-benzyl-2-chloro-N-(2-hydroxyethyl)benzamide?
4-amino-N-benzyl-2-chloro-N-(2-hydroxyethyl)benzamide has a molecular weight of 304.78 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-2-chloro-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 61107477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).