N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]formamide

C16H16ClNO2 — CID 174489903

IUPACN-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]formamide
SMILESO=CNCCc1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C16H16ClNO2/c17-15-6-7-16(14(10-15)8-9-18-12-19)20-11-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2,(H,18,19)
InChIKeyNUZJEZLIZFVIPH-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.21
Rot. Bonds7

About N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]formamide

N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]formamide (PubChem CID 174489903) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]formamide
PubChem CID174489903
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]formamide
SMILESO=CNCCc1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C16H16ClNO2/c17-15-6-7-16(14(10-15)8-9-18-12-19)20-11-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2,(H,18,19)
InChIKeyNUZJEZLIZFVIPH-UHFFFAOYSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene;ethane
CID 143249325
4-[2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 22681654
N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-methylpropane-1,3-diamine
CID 4720934
1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride
CID 172689166
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride
CID 17289738
2-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]benzonitrile
CID 67658901
N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215547
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride
CID 17295450
3-chloro-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]benzamide
CID 23019932
2-(2-bromophenyl)-4-chloro-1-phenylmethoxybenzene
CID 69309413

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]formamide?
The IUPAC name of N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]formamide (CID 174489903) is N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]formamide.
What is the SMILES notation for N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]formamide?
The canonical SMILES for N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]formamide is O=CNCCc1cc(Cl)ccc1OCc1ccccc1.
What is the InChIKey of N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]formamide?
The InChIKey is NUZJEZLIZFVIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-15-6-7-16(14(10-15)8-9-18-12-19)20-11-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2,(H,18,19).
What are the key properties of N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]formamide?
N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]formamide has a molecular weight of 289.76 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]formamide is sourced from PubChem (CID 174489903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).