1-(1-aminohexan-2-yl)-3-(3,4-dichlorophenyl)urea

C13H19Cl2N3O — CID 80697374

IUPAC1-(1-aminohexan-2-yl)-3-(3,4-dichlorophenyl)urea
SMILESCCCCC(CN)NC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H19Cl2N3O/c1-2-3-4-10(8-16)18-13(19)17-9-5-6-11(14)12(15)7-9/h5-7,10H,2-4,8,16H2,1H3,(H2,17,18,19)
InChIKeyWYWPYWJRSKBBRT-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.63
Rot. Bonds6

About 1-(1-aminohexan-2-yl)-3-(3,4-dichlorophenyl)urea

1-(1-aminohexan-2-yl)-3-(3,4-dichlorophenyl)urea (PubChem CID 80697374) has the molecular formula C13H19Cl2N3O and a molecular weight of 304.22 g/mol. Its IUPAC name is 1-(1-aminohexan-2-yl)-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(1-aminohexan-2-yl)-3-(3,4-dichlorophenyl)urea
PubChem CID80697374
Molecular FormulaC13H19Cl2N3O
Molecular Weight304.22 g/mol
Exact Mass303.09
IUPAC Name1-(1-aminohexan-2-yl)-3-(3,4-dichlorophenyl)urea
SMILESCCCCC(CN)NC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H19Cl2N3O/c1-2-3-4-10(8-16)18-13(19)17-9-5-6-11(14)12(15)7-9/h5-7,10H,2-4,8,16H2,1H3,(H2,17,18,19)
InChIKeyWYWPYWJRSKBBRT-UHFFFAOYSA-N
XLogP3.63
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-aminohexan-2-yl)-3-(3-fluorophenyl)urea
CID 80696545
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CID 41098235
N-(1-aminohexan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119668857
2-(3,4-dichloroanilino)-N-(1-hydroxyhexan-2-yl)propanamide
CID 18380247
N-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide
CID 113265964
5-[(3,4-dichlorophenyl)carbamoylamino]hexanoic acid
CID 82854342
1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea
CID 43417317
1-(3-aminophenyl)-3-octan-4-ylurea
CID 106026333
3-N-(1-aminohexan-2-yl)-2-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide
CID 119668146
N-(1-aminohexan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride
CID 119667367
(2S)-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid
CID 945760
1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(3,4-dichlorophenyl)urea
CID 61122804

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminohexan-2-yl)-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-(1-aminohexan-2-yl)-3-(3,4-dichlorophenyl)urea (CID 80697374) is 1-(1-aminohexan-2-yl)-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-(1-aminohexan-2-yl)-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-(1-aminohexan-2-yl)-3-(3,4-dichlorophenyl)urea is CCCCC(CN)NC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(1-aminohexan-2-yl)-3-(3,4-dichlorophenyl)urea?
The InChIKey is WYWPYWJRSKBBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3O/c1-2-3-4-10(8-16)18-13(19)17-9-5-6-11(14)12(15)7-9/h5-7,10H,2-4,8,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-(1-aminohexan-2-yl)-3-(3,4-dichlorophenyl)urea?
1-(1-aminohexan-2-yl)-3-(3,4-dichlorophenyl)urea has a molecular weight of 304.22 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminohexan-2-yl)-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 80697374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).