N-carbamoyl-2-[[2-(4-chlorophenyl)-1-phenylethyl]amino]propanamide

C18H20ClN3O2 — CID 47066635

IUPACN-carbamoyl-2-[[2-(4-chlorophenyl)-1-phenylethyl]amino]propanamide
SMILESCC(NC(Cc1ccc(Cl)cc1)c1ccccc1)C(=O)NC(N)=O
InChIInChI=1S/C18H20ClN3O2/c1-12(17(23)22-18(20)24)21-16(14-5-3-2-4-6-14)11-13-7-9-15(19)10-8-13/h2-10,12,16,21H,11H2,1H3,(H3,20,22,23,24)
InChIKeyLIWAACZCSWACOB-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.80
Rot. Bonds6

About N-carbamoyl-2-[[2-(4-chlorophenyl)-1-phenylethyl]amino]propanamide

N-carbamoyl-2-[[2-(4-chlorophenyl)-1-phenylethyl]amino]propanamide (PubChem CID 47066635) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-carbamoyl-2-[[2-(4-chlorophenyl)-1-phenylethyl]amino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[[2-(4-chlorophenyl)-1-phenylethyl]amino]propanamide
PubChem CID47066635
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-carbamoyl-2-[[2-(4-chlorophenyl)-1-phenylethyl]amino]propanamide
SMILESCC(NC(Cc1ccc(Cl)cc1)c1ccccc1)C(=O)NC(N)=O
InChIInChI=1S/C18H20ClN3O2/c1-12(17(23)22-18(20)24)21-16(14-5-3-2-4-6-14)11-13-7-9-15(19)10-8-13/h2-10,12,16,21H,11H2,1H3,(H3,20,22,23,24)
InChIKeyLIWAACZCSWACOB-UHFFFAOYSA-N
XLogP2.80
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(5-chloro-2-pyridinyl)-2-[[(1S)-1,2-diphenylethyl]amino]propanamide
CID 39983438
(2R)-N-(5-chloro-2-pyridinyl)-2-[[(1R)-1,2-diphenylethyl]amino]propanamide
CID 39983445
2-(benzhydrylamino)-N-carbamoylpropanamide
CID 42915569
(2R)-N-(tert-butylcarbamoyl)-2-[[(1S)-1,2-diphenylethyl]amino]propanamide
CID 51925594
N-[2-(4-chlorophenyl)-1-phenylethyl]-3-methylbutanamide
CID 60548268
4-(carbamoylamino)-N-[2-(4-chlorophenyl)-1-phenylethyl]benzamide
CID 55976674
4-amino-N-[2-(4-chlorophenyl)-1-phenylethyl]butanamide
CID 119300535
1,2-diphenylethylurea
CID 2853470
2-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-2-phenylacetamide
CID 43697058
azane;1-chloro-4-(2-phenylpropyl)benzene
CID 67712446
N-(methylcarbamoyl)-2-(1-phenylpropylamino)propanamide
CID 62050254
2-(1,3-diphenylpropylamino)propanamide
CID 70078545

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[[2-(4-chlorophenyl)-1-phenylethyl]amino]propanamide?
The IUPAC name of N-carbamoyl-2-[[2-(4-chlorophenyl)-1-phenylethyl]amino]propanamide (CID 47066635) is N-carbamoyl-2-[[2-(4-chlorophenyl)-1-phenylethyl]amino]propanamide.
What is the SMILES notation for N-carbamoyl-2-[[2-(4-chlorophenyl)-1-phenylethyl]amino]propanamide?
The canonical SMILES for N-carbamoyl-2-[[2-(4-chlorophenyl)-1-phenylethyl]amino]propanamide is CC(NC(Cc1ccc(Cl)cc1)c1ccccc1)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[[2-(4-chlorophenyl)-1-phenylethyl]amino]propanamide?
The InChIKey is LIWAACZCSWACOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-12(17(23)22-18(20)24)21-16(14-5-3-2-4-6-14)11-13-7-9-15(19)10-8-13/h2-10,12,16,21H,11H2,1H3,(H3,20,22,23,24).
What are the key properties of N-carbamoyl-2-[[2-(4-chlorophenyl)-1-phenylethyl]amino]propanamide?
N-carbamoyl-2-[[2-(4-chlorophenyl)-1-phenylethyl]amino]propanamide has a molecular weight of 345.83 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[[2-(4-chlorophenyl)-1-phenylethyl]amino]propanamide is sourced from PubChem (CID 47066635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).