N-[(2-chlorophenyl)methyl]-N-methylformamide

C9H10ClNO — CID 64992323

IUPACN-[(2-chlorophenyl)methyl]-N-methylformamide
SMILESCN(C=O)Cc1ccccc1Cl
InChIInChI=1S/C9H10ClNO/c1-11(7-12)6-8-4-2-3-5-9(8)10/h2-5,7H,6H2,1H3
InChIKeyZPMACTIIPRHTPW-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.93
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-N-methylformamide

N-[(2-chlorophenyl)methyl]-N-methylformamide (PubChem CID 64992323) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-methylformamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-methylformamide
PubChem CID64992323
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC NameN-[(2-chlorophenyl)methyl]-N-methylformamide
SMILESCN(C=O)Cc1ccccc1Cl
InChIInChI=1S/C9H10ClNO/c1-11(7-12)6-8-4-2-3-5-9(8)10/h2-5,7H,6H2,1H3
InChIKeyZPMACTIIPRHTPW-UHFFFAOYSA-N
XLogP1.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
(2S)-1-[(2-chlorophenyl)methyl-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 756928
(2R)-1-[(2-chlorophenyl)methyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 756925
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 115462653
N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61417092
N'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374414
N,N-bis[(2-chlorophenyl)methyl]hydroxylamine
CID 54059227
(3Z)-3-[[(2-chlorophenyl)methyl-methylamino]methylidene]-4-methylidenecyclohexan-1-one
CID 88940850
5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpentan-1-amine
CID 61416820
N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
CID 143072453
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937774

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-methylformamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-methylformamide (CID 64992323) is N-[(2-chlorophenyl)methyl]-N-methylformamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-methylformamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-methylformamide is CN(C=O)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-methylformamide?
The InChIKey is ZPMACTIIPRHTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-11(7-12)6-8-4-2-3-5-9(8)10/h2-5,7H,6H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-methylformamide?
N-[(2-chlorophenyl)methyl]-N-methylformamide has a molecular weight of 183.64 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-methylformamide is sourced from PubChem (CID 64992323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).