(E)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(4-chlorophenyl)prop-2-enamide

C18H18ClN3O2 — CID 47034219

IUPAC(E)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(4-chlorophenyl)prop-2-enamide
SMILESCC(NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C18H18ClN3O2/c1-12(14-5-9-16(10-6-14)22-18(20)24)21-17(23)11-4-13-2-7-15(19)8-3-13/h2-12H,1H3,(H,21,23)(H3,20,22,24)/b11-4+
InChIKeySOPZIWKUVFJBOA-NYYWCZLTSA-N
MW343.81 g/mol
LogP3.72
Rot. Bonds5

About (E)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(4-chlorophenyl)prop-2-enamide

(E)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(4-chlorophenyl)prop-2-enamide (PubChem CID 47034219) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is (E)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(4-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(4-chlorophenyl)prop-2-enamide
PubChem CID47034219
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name(E)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(4-chlorophenyl)prop-2-enamide
SMILESCC(NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C18H18ClN3O2/c1-12(14-5-9-16(10-6-14)22-18(20)24)21-17(23)11-4-13-2-7-15(19)8-3-13/h2-12H,1H3,(H,21,23)(H3,20,22,24)/b11-4+
InChIKeySOPZIWKUVFJBOA-NYYWCZLTSA-N
XLogP3.72
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide
CID 42990101
(Z)-N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 94062807
N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 763457
(E)-3-(4-chlorophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 94016154
(E)-3-(4-chlorophenyl)-N-[(1R)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 7899703
(E)-3-(4-chlorophenyl)-N-(2,4-dimethylpentan-3-yl)prop-2-enamide
CID 806243
(E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 28854457
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoic acid
CID 19176841
(E)-N-[4-(4-chlorophenyl)phenyl]-3-[4-(dimethoxymethyl)phenyl]prop-2-enamide
CID 68819697
N-[1-[1-[4-(carbamoylamino)phenyl]ethylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 55962435
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 4-(carbamoylamino)benzoate
CID 55321132
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(4-chlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(4-chlorophenyl)prop-2-enamide (CID 47034219) is (E)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(4-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(4-chlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(4-chlorophenyl)prop-2-enamide is CC(NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(NC(N)=O)cc1.
What is the InChIKey of (E)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(4-chlorophenyl)prop-2-enamide?
The InChIKey is SOPZIWKUVFJBOA-NYYWCZLTSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-12(14-5-9-16(10-6-14)22-18(20)24)21-17(23)11-4-13-2-7-15(19)8-3-13/h2-12H,1H3,(H,21,23)(H3,20,22,24)/b11-4+.
What are the key properties of (E)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(4-chlorophenyl)prop-2-enamide?
(E)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(4-chlorophenyl)prop-2-enamide has a molecular weight of 343.81 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(4-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 47034219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).