N-[(2-chlorophenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide

C13H13ClN2O — CID 110690809

IUPACN-[(2-chlorophenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide
SMILESO=C(Cc1ccc[nH]1)NCc1ccccc1Cl
InChIInChI=1S/C13H13ClN2O/c14-12-6-2-1-4-10(12)9-16-13(17)8-11-5-3-7-15-11/h1-7,15H,8-9H2,(H,16,17)
InChIKeyGUYXRXVTYPRWSE-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.53
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide

N-[(2-chlorophenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide (PubChem CID 110690809) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide
PubChem CID110690809
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide
SMILESO=C(Cc1ccc[nH]1)NCc1ccccc1Cl
InChIInChI=1S/C13H13ClN2O/c14-12-6-2-1-4-10(12)9-16-13(17)8-11-5-3-7-15-11/h1-7,15H,8-9H2,(H,16,17)
InChIKeyGUYXRXVTYPRWSE-UHFFFAOYSA-N
XLogP2.53
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
4-amino-N-[(2-chlorophenyl)methyl]butanamide
CID 22692149
2-(2-chlorophenyl)-N-(1H-indol-3-ylmethyl)acetamide
CID 110673257
N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
CID 108945203
N-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 110600760
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911
N-[(2-chlorophenyl)methyl]-3-oxo-3-phenylpropanamide
CID 619799
N-[(2-chlorophenyl)methyl]tetradecanamide
CID 54789460
2-(4-chloroanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 26417208
N-[(4-methoxyphenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide
CID 110690812
N-[(2-chlorophenyl)methyl]-3-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propanamide
CID 75386560

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide (CID 110690809) is N-[(2-chlorophenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide is O=C(Cc1ccc[nH]1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide?
The InChIKey is GUYXRXVTYPRWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c14-12-6-2-1-4-10(12)9-16-13(17)8-11-5-3-7-15-11/h1-7,15H,8-9H2,(H,16,17).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide?
N-[(2-chlorophenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide has a molecular weight of 248.71 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide is sourced from PubChem (CID 110690809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).