(3R)-3-(carbamoylamino)-N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide

C22H20ClN3O3 — CID 9412253

IUPAC(3R)-3-(carbamoylamino)-N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide
SMILESNC(=O)N[C@H](CC(=O)Nc1cccc(Cl)c1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H20ClN3O3/c23-16-7-5-8-17(13-16)25-21(27)14-20(26-22(24)28)15-6-4-11-19(12-15)29-18-9-2-1-3-10-18/h1-13,20H,14H2,(H,25,27)(H3,24,26,28)/t20-/m1/s1
InChIKeyFWXUHSLJVNFEBL-HXUWFJFHSA-N
MW409.87 g/mol
LogP4.87
Rot. Bonds7

About (3R)-3-(carbamoylamino)-N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide

(3R)-3-(carbamoylamino)-N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide (PubChem CID 9412253) has the molecular formula C22H20ClN3O3 and a molecular weight of 409.87 g/mol. Its IUPAC name is (3R)-3-(carbamoylamino)-N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name(3R)-3-(carbamoylamino)-N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide
PubChem CID9412253
Molecular FormulaC22H20ClN3O3
Molecular Weight409.87 g/mol
Exact Mass409.12
IUPAC Name(3R)-3-(carbamoylamino)-N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide
SMILESNC(=O)N[C@H](CC(=O)Nc1cccc(Cl)c1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H20ClN3O3/c23-16-7-5-8-17(13-16)25-21(27)14-20(26-22(24)28)15-6-4-11-19(12-15)29-18-9-2-1-3-10-18/h1-13,20H,14H2,(H,25,27)(H3,24,26,28)/t20-/m1/s1
InChIKeyFWXUHSLJVNFEBL-HXUWFJFHSA-N
XLogP4.87
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(carbamoylamino)-N-(3-methylsulfanylphenyl)-3-(3-phenoxyphenyl)propanamide
CID 9402974
(3R)-3-(carbamoylamino)-N-(4-ethylphenyl)-3-(3-phenoxyphenyl)propanamide
CID 9213620
N-(6-anilino-3-pyridinyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 146152381
3-(carbamoylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-phenoxyphenyl)propanamide
CID 4797821
3-(carbamoylamino)-N-(2-methyl-1,3-benzoxazol-5-yl)-3-(3-phenoxyphenyl)propanamide
CID 85484955
(2-amino-2-oxoethyl) (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
CID 8008898
N-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119496074
[2-(4-chlorophenyl)-2-oxoethyl] (3S)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
CID 2401781
(3R)-3-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-phenoxyphenyl)propanamide
CID 34192223
(3S)-3-(carbamoylamino)-N-cyclopentyl-3-(3-phenoxyphenyl)propanamide
CID 9215141
(3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-piperidin-1-ylpropanamide
CID 9271549
3-(carbamoylamino)-N-[3-(methylamino)propyl]-3-(3-phenoxyphenyl)propanamide
CID 119430711

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(carbamoylamino)-N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide?
The IUPAC name of (3R)-3-(carbamoylamino)-N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide (CID 9412253) is (3R)-3-(carbamoylamino)-N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide.
What is the SMILES notation for (3R)-3-(carbamoylamino)-N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide?
The canonical SMILES for (3R)-3-(carbamoylamino)-N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide is NC(=O)N[C@H](CC(=O)Nc1cccc(Cl)c1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (3R)-3-(carbamoylamino)-N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide?
The InChIKey is FWXUHSLJVNFEBL-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H20ClN3O3/c23-16-7-5-8-17(13-16)25-21(27)14-20(26-22(24)28)15-6-4-11-19(12-15)29-18-9-2-1-3-10-18/h1-13,20H,14H2,(H,25,27)(H3,24,26,28)/t20-/m1/s1.
What are the key properties of (3R)-3-(carbamoylamino)-N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide?
(3R)-3-(carbamoylamino)-N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide has a molecular weight of 409.87 g/mol, XLogP of 4.87, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(carbamoylamino)-N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide is sourced from PubChem (CID 9412253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).