N-[(3-methylphenyl)methyl]-2-(1H-pyrrol-3-yl)acetamide

C14H16N2O — CID 110769107

IUPACN-[(3-methylphenyl)methyl]-2-(1H-pyrrol-3-yl)acetamide
SMILESCc1cccc(CNC(=O)Cc2cc[nH]c2)c1
InChIInChI=1S/C14H16N2O/c1-11-3-2-4-12(7-11)10-16-14(17)8-13-5-6-15-9-13/h2-7,9,15H,8,10H2,1H3,(H,16,17)
InChIKeyOHSJZTGQZGCQQG-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.18
Rot. Bonds4

About N-[(3-methylphenyl)methyl]-2-(1H-pyrrol-3-yl)acetamide

N-[(3-methylphenyl)methyl]-2-(1H-pyrrol-3-yl)acetamide (PubChem CID 110769107) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-(1H-pyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-(1H-pyrrol-3-yl)acetamide
PubChem CID110769107
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-[(3-methylphenyl)methyl]-2-(1H-pyrrol-3-yl)acetamide
SMILESCc1cccc(CNC(=O)Cc2cc[nH]c2)c1
InChIInChI=1S/C14H16N2O/c1-11-3-2-4-12(7-11)10-16-14(17)8-13-5-6-15-9-13/h2-7,9,15H,8,10H2,1H3,(H,16,17)
InChIKeyOHSJZTGQZGCQQG-UHFFFAOYSA-N
XLogP2.18
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 110782736
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
3-[[[2-(3-methylphenyl)acetyl]amino]methyl]benzoic acid
CID 62388861
2-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 38240797
N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-pyrrol-3-yl)acetamide
CID 110769143
2-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzoic acid
CID 115923659
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 5289109
3-methoxy-N-[(3-methylphenyl)methyl]propanamide
CID 71248457
2-(furan-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110690605

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-(1H-pyrrol-3-yl)acetamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-(1H-pyrrol-3-yl)acetamide (CID 110769107) is N-[(3-methylphenyl)methyl]-2-(1H-pyrrol-3-yl)acetamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-(1H-pyrrol-3-yl)acetamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-(1H-pyrrol-3-yl)acetamide is Cc1cccc(CNC(=O)Cc2cc[nH]c2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-(1H-pyrrol-3-yl)acetamide?
The InChIKey is OHSJZTGQZGCQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-11-3-2-4-12(7-11)10-16-14(17)8-13-5-6-15-9-13/h2-7,9,15H,8,10H2,1H3,(H,16,17).
What are the key properties of N-[(3-methylphenyl)methyl]-2-(1H-pyrrol-3-yl)acetamide?
N-[(3-methylphenyl)methyl]-2-(1H-pyrrol-3-yl)acetamide has a molecular weight of 228.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-(1H-pyrrol-3-yl)acetamide is sourced from PubChem (CID 110769107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).