2-amino-4-chloro-5-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide

C16H16ClFN2O2 — CID 118498869

IUPAC2-amino-4-chloro-5-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2cc(F)c(Cl)cc2N)cc1
InChIInChI=1S/C16H16ClFN2O2/c1-22-11-4-2-10(3-5-11)6-7-20-16(21)12-8-14(18)13(17)9-15(12)19/h2-5,8-9H,6-7,19H2,1H3,(H,20,21)
InChIKeyLQEVCMBLAFCISK-UHFFFAOYSA-N
MW322.77 g/mol
LogP3.04
Rot. Bonds5

About 2-amino-4-chloro-5-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide

2-amino-4-chloro-5-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 118498869) has the molecular formula C16H16ClFN2O2 and a molecular weight of 322.77 g/mol. Its IUPAC name is 2-amino-4-chloro-5-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-5-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
PubChem CID118498869
Molecular FormulaC16H16ClFN2O2
Molecular Weight322.77 g/mol
Exact Mass322.09
IUPAC Name2-amino-4-chloro-5-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2cc(F)c(Cl)cc2N)cc1
InChIInChI=1S/C16H16ClFN2O2/c1-22-11-4-2-10(3-5-11)6-7-20-16(21)12-8-14(18)13(17)9-15(12)19/h2-5,8-9H,6-7,19H2,1H3,(H,20,21)
InChIKeyLQEVCMBLAFCISK-UHFFFAOYSA-N
XLogP3.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 53.04
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-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 61117267
5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26586018
4-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26024473
2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 80503131
2-chloro-5-fluoro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 103891420
2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7769079
2-fluoro-6-hydroxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 104916422
2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide
CID 115412431
2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 27646500
N-[2-(4-methoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100708090
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
2-amino-4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107843328

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-5-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-amino-4-chloro-5-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide (CID 118498869) is 2-amino-4-chloro-5-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-amino-4-chloro-5-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-amino-4-chloro-5-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide is COc1ccc(CCNC(=O)c2cc(F)c(Cl)cc2N)cc1.
What is the InChIKey of 2-amino-4-chloro-5-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is LQEVCMBLAFCISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O2/c1-22-11-4-2-10(3-5-11)6-7-20-16(21)12-8-14(18)13(17)9-15(12)19/h2-5,8-9H,6-7,19H2,1H3,(H,20,21).
What are the key properties of 2-amino-4-chloro-5-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide?
2-amino-4-chloro-5-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 322.77 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-5-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 118498869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).