N-(3-chloro-2-imidazol-1-ylphenyl)-2-(cyclopropylamino)acetamide

C14H15ClN4O — CID 60843215

IUPACN-(3-chloro-2-imidazol-1-ylphenyl)-2-(cyclopropylamino)acetamide
SMILESO=C(CNC1CC1)Nc1cccc(Cl)c1-n1ccnc1
InChIInChI=1S/C14H15ClN4O/c15-11-2-1-3-12(14(11)19-7-6-16-9-19)18-13(20)8-17-10-4-5-10/h1-3,6-7,9-10,17H,4-5,8H2,(H,18,20)
InChIKeyZIDCLLKJSUSLBV-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.22
Rot. Bonds5

About N-(3-chloro-2-imidazol-1-ylphenyl)-2-(cyclopropylamino)acetamide

N-(3-chloro-2-imidazol-1-ylphenyl)-2-(cyclopropylamino)acetamide (PubChem CID 60843215) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is N-(3-chloro-2-imidazol-1-ylphenyl)-2-(cyclopropylamino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-imidazol-1-ylphenyl)-2-(cyclopropylamino)acetamide
PubChem CID60843215
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC NameN-(3-chloro-2-imidazol-1-ylphenyl)-2-(cyclopropylamino)acetamide
SMILESO=C(CNC1CC1)Nc1cccc(Cl)c1-n1ccnc1
InChIInChI=1S/C14H15ClN4O/c15-11-2-1-3-12(14(11)19-7-6-16-9-19)18-13(20)8-17-10-4-5-10/h1-3,6-7,9-10,17H,4-5,8H2,(H,18,20)
InChIKeyZIDCLLKJSUSLBV-UHFFFAOYSA-N
XLogP2.22
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide
CID 43699248
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CID 63307734
N-(3-chloro-2-imidazol-1-ylphenyl)-5-hydroxypentanamide
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N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-4-carboxamide
CID 43699228
3-chloro-2-imidazol-1-yl-N-(3-methylcyclopentyl)aniline
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(3R)-N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-3-carboxamide
CID 81119583
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)propanamide
CID 54991269
N-(3-chloro-2-imidazol-1-ylphenyl)oxolan-3-amine
CID 63331377
3-amino-4-(3-chloro-2-imidazol-1-ylanilino)-4-oxobutanoic acid
CID 64897235
2-(aminomethyl)-N-(3-chloro-2-imidazol-1-ylphenyl)-3-methylbutanamide
CID 65225410
3-chloro-2-imidazol-1-yl-N-(3-methoxycyclohexyl)aniline
CID 106871626
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)pentanamide
CID 107568364

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-imidazol-1-ylphenyl)-2-(cyclopropylamino)acetamide?
The IUPAC name of N-(3-chloro-2-imidazol-1-ylphenyl)-2-(cyclopropylamino)acetamide (CID 60843215) is N-(3-chloro-2-imidazol-1-ylphenyl)-2-(cyclopropylamino)acetamide.
What is the SMILES notation for N-(3-chloro-2-imidazol-1-ylphenyl)-2-(cyclopropylamino)acetamide?
The canonical SMILES for N-(3-chloro-2-imidazol-1-ylphenyl)-2-(cyclopropylamino)acetamide is O=C(CNC1CC1)Nc1cccc(Cl)c1-n1ccnc1.
What is the InChIKey of N-(3-chloro-2-imidazol-1-ylphenyl)-2-(cyclopropylamino)acetamide?
The InChIKey is ZIDCLLKJSUSLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c15-11-2-1-3-12(14(11)19-7-6-16-9-19)18-13(20)8-17-10-4-5-10/h1-3,6-7,9-10,17H,4-5,8H2,(H,18,20).
What are the key properties of N-(3-chloro-2-imidazol-1-ylphenyl)-2-(cyclopropylamino)acetamide?
N-(3-chloro-2-imidazol-1-ylphenyl)-2-(cyclopropylamino)acetamide has a molecular weight of 290.75 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-imidazol-1-ylphenyl)-2-(cyclopropylamino)acetamide is sourced from PubChem (CID 60843215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).