1-(4-chlorophenyl)-3-[(3R)-1-[(4-chlorophenyl)carbamoylamino]pentan-3-yl]urea

C19H22Cl2N4O2 — CID 40625211

IUPAC1-(4-chlorophenyl)-3-[(3R)-1-[(4-chlorophenyl)carbamoylamino]pentan-3-yl]urea
SMILESCC[C@H](CCNC(=O)Nc1ccc(Cl)cc1)NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H22Cl2N4O2/c1-2-15(23-19(27)25-17-9-5-14(21)6-10-17)11-12-22-18(26)24-16-7-3-13(20)4-8-16/h3-10,15H,2,11-12H2,1H3,(H2,22,24,26)(H2,23,25,27)/t15-/m1/s1
InChIKeyNPBCKYMQGUSKSZ-OAHLLOKOSA-N
MW409.32 g/mol
LogP5.11
Rot. Bonds7

About 1-(4-chlorophenyl)-3-[(3R)-1-[(4-chlorophenyl)carbamoylamino]pentan-3-yl]urea

1-(4-chlorophenyl)-3-[(3R)-1-[(4-chlorophenyl)carbamoylamino]pentan-3-yl]urea (PubChem CID 40625211) has the molecular formula C19H22Cl2N4O2 and a molecular weight of 409.32 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(3R)-1-[(4-chlorophenyl)carbamoylamino]pentan-3-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(3R)-1-[(4-chlorophenyl)carbamoylamino]pentan-3-yl]urea
PubChem CID40625211
Molecular FormulaC19H22Cl2N4O2
Molecular Weight409.32 g/mol
Exact Mass408.11
IUPAC Name1-(4-chlorophenyl)-3-[(3R)-1-[(4-chlorophenyl)carbamoylamino]pentan-3-yl]urea
SMILESCC[C@H](CCNC(=O)Nc1ccc(Cl)cc1)NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H22Cl2N4O2/c1-2-15(23-19(27)25-17-9-5-14(21)6-10-17)11-12-22-18(26)24-16-7-3-13(20)4-8-16/h3-10,15H,2,11-12H2,1H3,(H2,22,24,26)(H2,23,25,27)/t15-/m1/s1
InChIKeyNPBCKYMQGUSKSZ-OAHLLOKOSA-N
XLogP5.11
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.32
LogP ≤ 55.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-3-[1-[(4-methoxyphenyl)carbamoylamino]pentan-3-yl]urea
CID 55629361
1-(4-chlorophenyl)-3-(3-hydroxy-4,4-dimethylpentyl)urea
CID 90523643
1-hexan-3-yl-3-(4-methylphenyl)urea
CID 134360432
1-(4-chlorophenyl)-3-undecylurea
CID 3711116
1-(2-aminobutyl)-3-(4-chlorophenyl)urea
CID 63733055
1-(4-ethylphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111452689
1-(4-chlorophenyl)-3-(4-hydroxy-1-methoxybutan-2-yl)urea
CID 113240168
N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121063265
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-(3-methyl-2-pyridinyl)-3-[1-[(3-methyl-2-pyridinyl)carbamoylamino]pentan-3-yl]urea
CID 47076572
1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 841933
methyl (2R,3S)-2-[(4-chlorophenyl)carbamoylamino]-3-methylpentanoate
CID 7645627

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(3R)-1-[(4-chlorophenyl)carbamoylamino]pentan-3-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(3R)-1-[(4-chlorophenyl)carbamoylamino]pentan-3-yl]urea (CID 40625211) is 1-(4-chlorophenyl)-3-[(3R)-1-[(4-chlorophenyl)carbamoylamino]pentan-3-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(3R)-1-[(4-chlorophenyl)carbamoylamino]pentan-3-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(3R)-1-[(4-chlorophenyl)carbamoylamino]pentan-3-yl]urea is CC[C@H](CCNC(=O)Nc1ccc(Cl)cc1)NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(3R)-1-[(4-chlorophenyl)carbamoylamino]pentan-3-yl]urea?
The InChIKey is NPBCKYMQGUSKSZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22Cl2N4O2/c1-2-15(23-19(27)25-17-9-5-14(21)6-10-17)11-12-22-18(26)24-16-7-3-13(20)4-8-16/h3-10,15H,2,11-12H2,1H3,(H2,22,24,26)(H2,23,25,27)/t15-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[(3R)-1-[(4-chlorophenyl)carbamoylamino]pentan-3-yl]urea?
1-(4-chlorophenyl)-3-[(3R)-1-[(4-chlorophenyl)carbamoylamino]pentan-3-yl]urea has a molecular weight of 409.32 g/mol, XLogP of 5.11, 7 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(3R)-1-[(4-chlorophenyl)carbamoylamino]pentan-3-yl]urea is sourced from PubChem (CID 40625211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).