(3-chloro-4-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate

C15H14ClFN2O2 — CID 103040756

IUPAC(3-chloro-4-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
SMILESNc1cc(C(=O)OCc2ccc(F)c(Cl)c2)n(C2CC2)c1
InChIInChI=1S/C15H14ClFN2O2/c16-12-5-9(1-4-13(12)17)8-21-15(20)14-6-10(18)7-19(14)11-2-3-11/h1,4-7,11H,2-3,8,18H2
InChIKeyYECPTUQVRVOTCU-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.55
Rot. Bonds4

About (3-chloro-4-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate

(3-chloro-4-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate (PubChem CID 103040756) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
PubChem CID103040756
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name(3-chloro-4-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
SMILESNc1cc(C(=O)OCc2ccc(F)c(Cl)c2)n(C2CC2)c1
InChIInChI=1S/C15H14ClFN2O2/c16-12-5-9(1-4-13(12)17)8-21-15(20)14-6-10(18)7-19(14)11-2-3-11/h1,4-7,11H,2-3,8,18H2
InChIKeyYECPTUQVRVOTCU-UHFFFAOYSA-N
XLogP3.55
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-chloro-4-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 5-[(3-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate
CID 12640244
ethyl 3-amino-1-benzyl-1H-pyrrole-2-carboxylate hydrochloride
CID 177799386
(3-Chloro-4-fluorophenyl)methyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 103040755
Ethyl 3-[(2-chloropyridine-4-carbonyl)amino]-4-(3-fluorophenyl)-1-methylpyrrole-2-carboxylate
CID 46102248
1h-Pyrrolo[3,2-b]pyridine-2-carboxylic acid,1-[(3-chloro-4-fluorophenyl)methyl]-4,5-dihydro-5-oxo-4-phenyl-,ethyl ester
CID 10365061
Ethyl 1-[(3-chloro-2,6-difluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylate
CID 21892225
Ethyl 1-(3-chloro-2-fluorobenzyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylate
CID 21892239
3-amino-1-(4-chloro-3-fluoro-phenyl)-1H-pyrrole-2,4-dicarboxylic acid 2-tert-butyl ester 4-ethyl ester
CID 58271009
1-[1-carboxy-2-(3-chloro-4-fluoro-phenyl)-1-methyl-ethyl]-1H-pyrrole-2-carboxylic acid methyl ester
CID 59805695
1-[1-tert-butoxycarbonyl-2-(3-chloro-4-fluoro-phenyl)-1-methyl-ethyl]-1H-pyrrole-2-carboxylic acid methyl ester
CID 59805710
1-(3-chloro-4-fluoro-benzylamino)-1H-pyrrole-2-carboxylic acid allyl ester
CID 59853602
Ethyl 1-[(3-chloro-4-fluorophenyl)methyl]-4-oxidopyrrolo[3,2-b]pyridin-4-ium-2-carboxylate
CID 69157829

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The IUPAC name of (3-chloro-4-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate (CID 103040756) is (3-chloro-4-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate.
What is the SMILES notation for (3-chloro-4-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The canonical SMILES for (3-chloro-4-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate is Nc1cc(C(=O)OCc2ccc(F)c(Cl)c2)n(C2CC2)c1.
What is the InChIKey of (3-chloro-4-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The InChIKey is YECPTUQVRVOTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c16-12-5-9(1-4-13(12)17)8-21-15(20)14-6-10(18)7-19(14)11-2-3-11/h1,4-7,11H,2-3,8,18H2.
What are the key properties of (3-chloro-4-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
(3-chloro-4-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate has a molecular weight of 308.74 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate is sourced from PubChem (CID 103040756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).