N-(2-amino-2-oxoethyl)-N-[(3-chlorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide

C19H19ClN2O2 — CID 144888029

IUPACN-(2-amino-2-oxoethyl)-N-[(3-chlorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
SMILESNC(=O)CN(Cc1cccc(Cl)c1)C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C19H19ClN2O2/c20-16-8-4-5-14(11-16)12-22(13-17(21)23)18(24)19(9-10-19)15-6-2-1-3-7-15/h1-8,11H,9-10,12-13H2,(H2,21,23)
InChIKeyODVHHBZNOCJXTD-UHFFFAOYSA-N
MW342.83 g/mol
LogP2.89
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-N-[(3-chlorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide

N-(2-amino-2-oxoethyl)-N-[(3-chlorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 144888029) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-[(3-chlorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-[(3-chlorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID144888029
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC NameN-(2-amino-2-oxoethyl)-N-[(3-chlorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
SMILESNC(=O)CN(Cc1cccc(Cl)c1)C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C19H19ClN2O2/c20-16-8-4-5-14(11-16)12-22(13-17(21)23)18(24)19(9-10-19)15-6-2-1-3-7-15/h1-8,11H,9-10,12-13H2,(H2,21,23)
InChIKeyODVHHBZNOCJXTD-UHFFFAOYSA-N
XLogP2.89
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-ethyl-1-phenylcyclopropane-1-carboxamide
CID 113198157
3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]-methylamino]methyl]benzamide
CID 55920544
2-[(2-aminophenyl)methyl-[(3-chlorophenyl)methyl]amino]acetamide
CID 43461381
1-[(3-chlorophenyl)methyl]-1-hydroxyurea
CID 134087459
2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid
CID 54900888
(2-amino-2-oxoethyl) 1-(3-chlorophenyl)cyclopropane-1-carboxylate
CID 51088811
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopropane-1-carboxamide
CID 33183109
N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpiperidine-4-carboxamide
CID 63122209
3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-2-phenylpropanamide
CID 119722974
2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
CID 64684681
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818
bis[1-(3-chlorophenyl)cyclopropyl]methanone
CID 141485401

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-[(3-chlorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-[(3-chlorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide (CID 144888029) is N-(2-amino-2-oxoethyl)-N-[(3-chlorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-[(3-chlorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-[(3-chlorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide is NC(=O)CN(Cc1cccc(Cl)c1)C(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-[(3-chlorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is ODVHHBZNOCJXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c20-16-8-4-5-14(11-16)12-22(13-17(21)23)18(24)19(9-10-19)15-6-2-1-3-7-15/h1-8,11H,9-10,12-13H2,(H2,21,23).
What are the key properties of N-(2-amino-2-oxoethyl)-N-[(3-chlorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide?
N-(2-amino-2-oxoethyl)-N-[(3-chlorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-[(3-chlorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 144888029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).