N-[1-(4-aminophenyl)ethyl]-5-chloro-2-methoxybenzamide

C16H17ClN2O2 — CID 43297510

IUPACN-[1-(4-aminophenyl)ethyl]-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC(C)c1ccc(N)cc1
InChIInChI=1S/C16H17ClN2O2/c1-10(11-3-6-13(18)7-4-11)19-16(20)14-9-12(17)5-8-15(14)21-2/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyUPTHSWVGKFMJDP-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.42
Rot. Bonds4

About N-[1-(4-aminophenyl)ethyl]-5-chloro-2-methoxybenzamide

N-[1-(4-aminophenyl)ethyl]-5-chloro-2-methoxybenzamide (PubChem CID 43297510) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethyl]-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethyl]-5-chloro-2-methoxybenzamide
PubChem CID43297510
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-[1-(4-aminophenyl)ethyl]-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC(C)c1ccc(N)cc1
InChIInChI=1S/C16H17ClN2O2/c1-10(11-3-6-13(18)7-4-11)19-16(20)14-9-12(17)5-8-15(14)21-2/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyUPTHSWVGKFMJDP-UHFFFAOYSA-N
XLogP3.42
TPSA64.35 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 ≤ 53.42
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

5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxybenzamide
CID 107869019
5-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 94049074
5-chloro-2-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 35276397
5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
CID 39854287
N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311
2-amino-N-[1-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 61118306
5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 155540745
2,4-dichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 16574257
5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 670791
2-amino-4-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 81355744
N-(1-bromopropan-2-yl)-5-chloro-2-methoxybenzamide
CID 114310666
5-chloro-2-methoxy-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide
CID 55807881

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethyl]-5-chloro-2-methoxybenzamide?
The IUPAC name of N-[1-(4-aminophenyl)ethyl]-5-chloro-2-methoxybenzamide (CID 43297510) is N-[1-(4-aminophenyl)ethyl]-5-chloro-2-methoxybenzamide.
What is the SMILES notation for N-[1-(4-aminophenyl)ethyl]-5-chloro-2-methoxybenzamide?
The canonical SMILES for N-[1-(4-aminophenyl)ethyl]-5-chloro-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NC(C)c1ccc(N)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)ethyl]-5-chloro-2-methoxybenzamide?
The InChIKey is UPTHSWVGKFMJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10(11-3-6-13(18)7-4-11)19-16(20)14-9-12(17)5-8-15(14)21-2/h3-10H,18H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(4-aminophenyl)ethyl]-5-chloro-2-methoxybenzamide?
N-[1-(4-aminophenyl)ethyl]-5-chloro-2-methoxybenzamide has a molecular weight of 304.78 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethyl]-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 43297510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).