(4-amino-3-chlorophenyl)-(1H-pyrrol-2-yl)methanone

C11H9ClN2O — CID 82786984

IUPAC(4-amino-3-chlorophenyl)-(1H-pyrrol-2-yl)methanone
SMILESNc1ccc(C(=O)c2ccc[nH]2)cc1Cl
InChIInChI=1S/C11H9ClN2O/c12-8-6-7(3-4-9(8)13)11(15)10-2-1-5-14-10/h1-6,14H,13H2
InChIKeyCXZUHOUCBDYCNX-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.48
Rot. Bonds2

About (4-amino-3-chlorophenyl)-(1H-pyrrol-2-yl)methanone

(4-amino-3-chlorophenyl)-(1H-pyrrol-2-yl)methanone (PubChem CID 82786984) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is (4-amino-3-chlorophenyl)-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-chlorophenyl)-(1H-pyrrol-2-yl)methanone
PubChem CID82786984
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name(4-amino-3-chlorophenyl)-(1H-pyrrol-2-yl)methanone
SMILESNc1ccc(C(=O)c2ccc[nH]2)cc1Cl
InChIInChI=1S/C11H9ClN2O/c12-8-6-7(3-4-9(8)13)11(15)10-2-1-5-14-10/h1-6,14H,13H2
InChIKeyCXZUHOUCBDYCNX-UHFFFAOYSA-N
XLogP2.48
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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4-(1H-pyrrole-2-carbonyl)benzoic acid
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(6-chloro-3-pyridinyl)-(1H-pyrrol-2-yl)methanone
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(4-amino-3-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanone
CID 107477758
(4-amino-3-chlorophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80641909
(4-amino-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 82787494
N-[4-(4-amino-3-chlorobenzoyl)phenyl]methanesulfonamide
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(4-amino-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanone
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(4-amino-3-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-chlorophenyl)-(1H-pyrrol-2-yl)methanone?
The IUPAC name of (4-amino-3-chlorophenyl)-(1H-pyrrol-2-yl)methanone (CID 82786984) is (4-amino-3-chlorophenyl)-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (4-amino-3-chlorophenyl)-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for (4-amino-3-chlorophenyl)-(1H-pyrrol-2-yl)methanone is Nc1ccc(C(=O)c2ccc[nH]2)cc1Cl.
What is the InChIKey of (4-amino-3-chlorophenyl)-(1H-pyrrol-2-yl)methanone?
The InChIKey is CXZUHOUCBDYCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-8-6-7(3-4-9(8)13)11(15)10-2-1-5-14-10/h1-6,14H,13H2.
What are the key properties of (4-amino-3-chlorophenyl)-(1H-pyrrol-2-yl)methanone?
(4-amino-3-chlorophenyl)-(1H-pyrrol-2-yl)methanone has a molecular weight of 220.66 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-chlorophenyl)-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 82786984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).