4-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]benzamide

C13H17ClN2O — CID 138013204

IUPAC4-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]benzamide
SMILESCN(C)CC1(NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H17ClN2O/c1-16(2)9-13(7-8-13)15-12(17)10-3-5-11(14)6-4-10/h3-6H,7-9H2,1-2H3,(H,15,17)
InChIKeyMVRNMGLPNDXQPP-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.16
Rot. Bonds4

About 4-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]benzamide

4-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]benzamide (PubChem CID 138013204) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is 4-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]benzamide
PubChem CID138013204
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name4-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]benzamide
SMILESCN(C)CC1(NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H17ClN2O/c1-16(2)9-13(7-8-13)15-12(17)10-3-5-11(14)6-4-10/h3-6H,7-9H2,1-2H3,(H,15,17)
InChIKeyMVRNMGLPNDXQPP-UHFFFAOYSA-N
XLogP2.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide
CID 114311465
2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845388
4-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527504
N-[4-(bromomethyl)oxan-4-yl]-4-chlorobenzamide
CID 106300976
N-[1-(chloromethyl)cyclopentyl]-4-(dimethylamino)benzamide
CID 113272407
4-chloro-N-[[1-chloro-4-(methylamino)piperidin-4-yl]methyl]benzamide
CID 89320280
N-[1-[(dimethylamino)methyl]cyclopropyl]-2,2-dimethylpropanamide
CID 154589390
4-tert-butyl-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764816
4-bromo-N-(1-ethylcyclopropyl)benzamide
CID 131025860
4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936052
1-N-[1-(hydroxymethyl)cyclopentyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 110008768
4-chloro-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]benzamide
CID 113039930

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]benzamide?
The IUPAC name of 4-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]benzamide (CID 138013204) is 4-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]benzamide is CN(C)CC1(NC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]benzamide?
The InChIKey is MVRNMGLPNDXQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-16(2)9-13(7-8-13)15-12(17)10-3-5-11(14)6-4-10/h3-6H,7-9H2,1-2H3,(H,15,17).
What are the key properties of 4-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]benzamide?
4-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]benzamide has a molecular weight of 252.75 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]benzamide is sourced from PubChem (CID 138013204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).