3-(4-chlorophenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)urea

C18H18ClN3O2 — CID 929393

IUPAC3-(4-chlorophenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)urea
SMILESCOc1ccc(N(C(=O)Nc2ccc(Cl)cc2)C2=NCCC2)cc1
InChIInChI=1S/C18H18ClN3O2/c1-24-16-10-8-15(9-11-16)22(17-3-2-12-20-17)18(23)21-14-6-4-13(19)5-7-14/h4-11H,2-3,12H2,1H3,(H,21,23)
InChIKeyMSEDKMHNSKFFJB-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.58
Rot. Bonds3

About 3-(4-chlorophenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)urea

3-(4-chlorophenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)urea (PubChem CID 929393) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)urea
PubChem CID929393
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name3-(4-chlorophenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)urea
SMILESCOc1ccc(N(C(=O)Nc2ccc(Cl)cc2)C2=NCCC2)cc1
InChIInChI=1S/C18H18ClN3O2/c1-24-16-10-8-15(9-11-16)22(17-3-2-12-20-17)18(23)21-14-6-4-13(19)5-7-14/h4-11H,2-3,12H2,1H3,(H,21,23)
InChIKeyMSEDKMHNSKFFJB-UHFFFAOYSA-N
XLogP4.58
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)-3-phenylurea
CID 921968
2-[4-chloro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-(4-methoxyphenyl)ethanone;hydrobromide
CID 45136017
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140
1-[(4-methoxyphenyl)carbamoyl]-1,3-bis(4-methylphenyl)urea
CID 102245871
(4-methoxyphenyl)carbamothioic S-acid
CID 12725828
1,3-bis(4-methoxyphenyl)urea
CID 139045428
3-(N-acetyl-4-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 113129151
1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 5080990
3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea
CID 4751337
N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide
CID 134218618
1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866363
3-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(phenylcarbamoylamino)urea
CID 1497964

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)urea?
The IUPAC name of 3-(4-chlorophenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)urea (CID 929393) is 3-(4-chlorophenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)urea is COc1ccc(N(C(=O)Nc2ccc(Cl)cc2)C2=NCCC2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)urea?
The InChIKey is MSEDKMHNSKFFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-24-16-10-8-15(9-11-16)22(17-3-2-12-20-17)18(23)21-14-6-4-13(19)5-7-14/h4-11H,2-3,12H2,1H3,(H,21,23).
What are the key properties of 3-(4-chlorophenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)urea?
3-(4-chlorophenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)urea has a molecular weight of 343.81 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)urea is sourced from PubChem (CID 929393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).