1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea

C11H16ClN3O — CID 63731547

IUPAC1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC(C)CN)cc1Cl
InChIInChI=1S/C11H16ClN3O/c1-7-3-4-9(5-10(7)12)15-11(16)14-8(2)6-13/h3-5,8H,6,13H2,1-2H3,(H2,14,15,16)
InChIKeyYPUVQWXZQRSATP-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.12
Rot. Bonds3

About 1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea

1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea (PubChem CID 63731547) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea.

Molecular Properties

Compound Name1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea
PubChem CID63731547
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC(C)CN)cc1Cl
InChIInChI=1S/C11H16ClN3O/c1-7-3-4-9(5-10(7)12)15-11(16)14-8(2)6-13/h3-5,8H,6,13H2,1-2H3,(H2,14,15,16)
InChIKeyYPUVQWXZQRSATP-UHFFFAOYSA-N
XLogP2.12
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(3-chloro-4-methylphenyl)carbamoylamino]propanoate
CID 3416421
1-(3-chloro-4-methylphenyl)-3-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]urea
CID 95313168
1-(2-aminopropyl)-3-(3-chloro-4-methylphenyl)urea
CID 63733150
(2S)-2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide
CID 127038916
2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-propylpropanamide
CID 47112271
5-amino-N-(3-chloro-4-methylphenyl)-4-methylpentanamide
CID 82683230
1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea
CID 43417317
1-butan-2-yl-3-(3-chloro-4-fluorophenyl)urea
CID 2951179
2-amino-N-(3-chloro-4-methylphenyl)propanamide
CID 24694047
1-(3,4-dichlorophenyl)-3-[(2S)-pentan-2-yl]urea
CID 41098235
1-(1-aminopropan-2-yl)-3-phenylurea
CID 23364218
1-[3-(aminomethyl)phenyl]-3-(3-chloro-4-methylphenyl)urea
CID 63254609

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea?
The IUPAC name of 1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea (CID 63731547) is 1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea.
What is the SMILES notation for 1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea?
The canonical SMILES for 1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea is Cc1ccc(NC(=O)NC(C)CN)cc1Cl.
What is the InChIKey of 1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea?
The InChIKey is YPUVQWXZQRSATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7-3-4-9(5-10(7)12)15-11(16)14-8(2)6-13/h3-5,8H,6,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea?
1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea has a molecular weight of 241.72 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea is sourced from PubChem (CID 63731547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).