N-[3-chloro-2-(diethylamino)phenyl]formamide

C11H15ClN2O — CID 168653404

IUPACN-[3-chloro-2-(diethylamino)phenyl]formamide
SMILESCCN(CC)c1c(Cl)cccc1NC=O
InChIInChI=1S/C11H15ClN2O/c1-3-14(4-2)11-9(12)6-5-7-10(11)13-8-15/h5-8H,3-4H2,1-2H3,(H,13,15)
InChIKeyNUBOLKCKDACENC-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.75
Rot. Bonds5

About N-[3-chloro-2-(diethylamino)phenyl]formamide

N-[3-chloro-2-(diethylamino)phenyl]formamide (PubChem CID 168653404) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-[3-chloro-2-(diethylamino)phenyl]formamide.

Molecular Properties

Compound NameN-[3-chloro-2-(diethylamino)phenyl]formamide
PubChem CID168653404
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-[3-chloro-2-(diethylamino)phenyl]formamide
SMILESCCN(CC)c1c(Cl)cccc1NC=O
InChIInChI=1S/C11H15ClN2O/c1-3-14(4-2)11-9(12)6-5-7-10(11)13-8-15/h5-8H,3-4H2,1-2H3,(H,13,15)
InChIKeyNUBOLKCKDACENC-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-3-chlorophenyl)formamide
CID 103480075
CID 67277215
CID 67277215
N-(2-benzyl-3-chlorophenyl)formamide
CID 19426648
N-[2-chloro-3-[ethyl(methyl)amino]-4-pyridinyl]formamide;ethane
CID 164902575
cesium;methylazanide;N-naphthalen-1-ylformamide
CID 145326564
2,6-dichloro-N-(4-methylpentyl)-N-propylaniline;ethane;N-phenylformamide
CID 144845813
N-(2-ethoxy-3-fluorophenyl)formamide
CID 168653296
N,N-diethyl-2-formamidobenzamide
CID 168652158
N-[2-(diethylsulfamoyl)phenyl]formamide
CID 168651949
ethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate
CID 61061554
N-(5-chloro-9-oxo-10H-acridin-4-yl)formamide
CID 168651697
2-[2-chloro-N-ethyl-6-(methylaminomethyl)anilino]-N-methylacetamide
CID 114068279

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(diethylamino)phenyl]formamide?
The IUPAC name of N-[3-chloro-2-(diethylamino)phenyl]formamide (CID 168653404) is N-[3-chloro-2-(diethylamino)phenyl]formamide.
What is the SMILES notation for N-[3-chloro-2-(diethylamino)phenyl]formamide?
The canonical SMILES for N-[3-chloro-2-(diethylamino)phenyl]formamide is CCN(CC)c1c(Cl)cccc1NC=O.
What is the InChIKey of N-[3-chloro-2-(diethylamino)phenyl]formamide?
The InChIKey is NUBOLKCKDACENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-3-14(4-2)11-9(12)6-5-7-10(11)13-8-15/h5-8H,3-4H2,1-2H3,(H,13,15).
What are the key properties of N-[3-chloro-2-(diethylamino)phenyl]formamide?
N-[3-chloro-2-(diethylamino)phenyl]formamide has a molecular weight of 226.71 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(diethylamino)phenyl]formamide is sourced from PubChem (CID 168653404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).