ethyl N-[4-[(4-chloro-1H-pyrrole-2-carbonyl)amino]phenyl]carbamate

C14H14ClN3O3 — CID 87018723

IUPACethyl N-[4-[(4-chloro-1H-pyrrole-2-carbonyl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)c2cc(Cl)c[nH]2)cc1
InChIInChI=1S/C14H14ClN3O3/c1-2-21-14(20)18-11-5-3-10(4-6-11)17-13(19)12-7-9(15)8-16-12/h3-8,16H,2H2,1H3,(H,17,19)(H,18,20)
InChIKeyKFUKLACGKYRYSW-UHFFFAOYSA-N
MW307.74 g/mol
LogP3.49
Rot. Bonds4

About ethyl N-[4-[(4-chloro-1H-pyrrole-2-carbonyl)amino]phenyl]carbamate

ethyl N-[4-[(4-chloro-1H-pyrrole-2-carbonyl)amino]phenyl]carbamate (PubChem CID 87018723) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is ethyl N-[4-[(4-chloro-1H-pyrrole-2-carbonyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(4-chloro-1H-pyrrole-2-carbonyl)amino]phenyl]carbamate
PubChem CID87018723
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Nameethyl N-[4-[(4-chloro-1H-pyrrole-2-carbonyl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)c2cc(Cl)c[nH]2)cc1
InChIInChI=1S/C14H14ClN3O3/c1-2-21-14(20)18-11-5-3-10(4-6-11)17-13(19)12-7-9(15)8-16-12/h3-8,16H,2H2,1H3,(H,17,19)(H,18,20)
InChIKeyKFUKLACGKYRYSW-UHFFFAOYSA-N
XLogP3.49
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[4-[(4-chloro-1H-pyrrole-2-carbonyl)amino]phenyl]pyrazole-3-carboxylate
CID 86835010
ethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515896
4-chloro-N-(3-ethoxyphenyl)-1H-pyrrole-2-carboxamide
CID 47340946
ethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate
CID 26688111
ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate
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ethyl N-[4-(4-chlorobenzoyl)phenyl]carbamate
CID 13021625
4-chloro-N-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-1H-pyrrole-2-carboxamide
CID 71914612
4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-1H-pyrrole-2-carboxamide
CID 60805059
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 18123039
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
ethyl N-[4-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]carbamate
CID 9038153

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(4-chloro-1H-pyrrole-2-carbonyl)amino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(4-chloro-1H-pyrrole-2-carbonyl)amino]phenyl]carbamate (CID 87018723) is ethyl N-[4-[(4-chloro-1H-pyrrole-2-carbonyl)amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(4-chloro-1H-pyrrole-2-carbonyl)amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(4-chloro-1H-pyrrole-2-carbonyl)amino]phenyl]carbamate is CCOC(=O)Nc1ccc(NC(=O)c2cc(Cl)c[nH]2)cc1.
What is the InChIKey of ethyl N-[4-[(4-chloro-1H-pyrrole-2-carbonyl)amino]phenyl]carbamate?
The InChIKey is KFUKLACGKYRYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-2-21-14(20)18-11-5-3-10(4-6-11)17-13(19)12-7-9(15)8-16-12/h3-8,16H,2H2,1H3,(H,17,19)(H,18,20).
What are the key properties of ethyl N-[4-[(4-chloro-1H-pyrrole-2-carbonyl)amino]phenyl]carbamate?
ethyl N-[4-[(4-chloro-1H-pyrrole-2-carbonyl)amino]phenyl]carbamate has a molecular weight of 307.74 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(4-chloro-1H-pyrrole-2-carbonyl)amino]phenyl]carbamate is sourced from PubChem (CID 87018723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).